Science.gov

Sample records for icosahedral zn-mg-dy quasicrystal

  1. 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.

  2. 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….

  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. The quasiperiodic average structure of highly disordered decagonal Zn-Mg-Dy and its temperature dependence.

    PubMed

    Ors, Taylan; Takakura, Hiroyuki; Abe, Eiji; Steurer, Walter

    2014-04-01

    A single-crystal X-ray diffraction structure analysis of decagonal Zn-Mg-Dy, a Frank-Kasper-type quasicrystal, was performed using the higher-dimensional approach. For this first Frank-Kasper (F-K) decagonal quasicrystal studied so far, significant differences to the decagonal Al-TM-based (TM: transition metal) phases were found. A new type of twofold occupation domain is located on certain edge centers of the five-dimensional unit cell. The structure can be described in terms of a two-cluster model based on a decagonal cluster (∼ 23 Å diameter) arranged on the vertices of a pentagon-Penrose tiling (PPT) and a star-like cluster covering the remaining space. This model is used for the five-dimensional refinements, which converged to an R value of 0.126. The arrangement of clusters is significantly disordered as indicated by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). In order to check the structure and stability at higher temperatures, in-situ high-temperature (HT) single-crystal X-ray diffraction experiments were conducted at 598 and 648 K (i.e. slightly below the decomposition temperature). The structure does not change significantly, however, the best quasiperiodic order is found at 598 K. The implication of these results on the stabilization mechanism of quasicrystals is discussed. PMID:24675601

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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).

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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}

  17. 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.

  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. Structural stability of the icosahedral AlCuFe quasicrystal under high-pressure and high-temperature

    NASA Astrophysics Data System (ADS)

    Takagi, S.; Kyono, A.; Nakamoto, Y.; Hirao, N.

    2015-12-01

    We report high-pressure and high-temperature in-situ X-ray diffraction study of icosahedral (i)-AlCuFe quasicrystal "icosahedrite" which is the first known naturally occurring quasicrystal mineral discovered in the Khatyrka meteorite. The i-AlCuFe quasicrystal was synthesized in laboratory from a powder mixture with an atomic ratio of Al : Cu : Fe = 65 : 20 : 15. The high-temperature and high-pressure X-ray diffraction experiments were performed using the laser-heated diamond anvil cell system installed at BL10XU, SPring-8, Japan. The i-AlCuFe showed a characteristic X-ray diffraction pattern of quasicrystal. With only compression, the diffraction patterns of the i-AlCuFe were continued until 75 GPa. At a pressure of 87 GPa two small new peaks occurred and then kept up to the maximum pressure of 104 GPa in the study. The results indicate that the pressure-induced structural phase transition of the i-AlCuFe occurs above 87 GPa, and the structure of the i-AlCuFe remains unchanged at least up to 75 GPa. Under simultaneously high pressure and high temperature, on the other hand, the i-AlCuFe was readily transformed to crystalline phase. It can be characterized by an irreversible transformation process. The structure of the i-AlCuFe is therefore more affected by thermal metamorphism than by pressure metamorphism. The present high-pressure and high-temperature experiments clearly revealed the thermal and pressure stability of the i-AlCuFe quasicrystal which may help to explain the formation of the naturally occurring quasicrystal in the solar system.

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. Speculation of equilibrium pressure of Ti{sub 36}Zr{sub 40}Ni{sub 20}Pd{sub 4} icosahedral quasicrystal

    SciTech Connect

    Huang, Huogen; Chen, Liang

    2015-08-17

    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{sup −8}Pa and carried out hydrogen desorption investigation at different temperatures on Ti{sub 36}Zr{sub 40}Ni{sub 20}Pd{sub 4} 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{sup −6}Pa, displaying good stability of hydrogen in the quasicrystal and also implying application prospects in fusion energy field for quasicrystals of this type.

  7. Step-terrace morphology and reactivity to C60 of the five-fold icosahedral Ag-In-Yb quasicrystal

    NASA Astrophysics Data System (ADS)

    Nugent, P. J.; Smerdon, J. A.; McGrath, R.; Shimoda, M.; Cui, C.; Tsai, A. P.; Sharma, H. R.

    2011-07-01

    The surface of the icosahedral i-Ag-In-Yb quasicrystal provides one of the first non-Al-based aperiodic surfaces that is suitable for study under ultra-high vacuum conditions. We present a scanning tunnelling microscopy (STM) study of the five-fold surface of this new quasicrystal demonstrating detailed structure of the terraces and steps. The analysis of the autocorrelation functions of STM images at opposite bias polarities and of the in-plane structure of the bulk model of i-Cd-Yb, which is isostructural to i-Ag-In-Yb, reveals that the surface terminations occur at the centres of the rhombic triacontrahedral (RTH) clusters, which are the basic building blocks of this material. The study further confirms that the unoccupied electronic states are located on Yb sites. Step edges display a Fibonacci sequence of truncated clusters, which can also be explained in terms of the model structure. Occasionally, a single terrace is found to display different structures at negative bias, whereas the same terrace shows a uniform structure at positive bias. Depositing C60 creates a disordered overlayer on the surface with no resulting FFT or LEED patterns.

  8. 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.

  9. Quasicrystals

    PubMed Central

    Cahn, John W.

    2001-01-01

    The discretely diffracting aperiodic crystals termed quasicrystals, discovered at NBS in the early 1980s, have led to much interdisciplinary activity involving mainly materials science, physics, mathematics, and crystallography. It led to a new understanding of how atoms can arrange themselves, the role of periodicity in nature, and has created a new branch of crystallography.

  10. 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.

  11. Unoccupied electronic states of icosahedral Al-Pd-Mn quasicrystals: Evidence of image potential resonance and pseudogap

    SciTech Connect

    Maniraj, M; Rai, Abhishek; Barman, S R; Krajci, M; Schlagel, Deborah L; Lograsso, Thomas A; Horn, K

    2014-09-01

    We study the unoccupied region of the electronic structure of the fivefold symmetric surface of an icosahedral (i) Al-Pd-Mn quasicrystal. A feature that exhibits parabolic dispersion with an effective mass of (1.15±0.1)me and tracks the change in the work function is assigned to an image potential resonance because our density functional calculation shows an absence of band gap in the respective energy region. We show that Sn grows pseudomorphically on i-Al-Pd-Mn as predicted by density functional theory calculations, and the energy of the image potential resonance tracks the change in the work function with Sn coverage. The image potential resonance appears much weaker in the spectrum from the related crystalline Al-Pd-Mn surface, demonstrating that its strength is related to the compatibility of the quasiperiodic wave functions in i-Al-Pd-Mn with the free-electron-like image potential states. Our investigation of the energy region immediately above EF provides unambiguous evidence for the presence of a pseudogap, in agreement with our density functional theory calculations.

  12. 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.

  13. Magnetoresistance in i-R-Cd icosahedral quasicrystals (R=Y, Gd)

    NASA Astrophysics Data System (ADS)

    Saraswat, Garima; Popović, Dragana; Kong, Tai; Bud'Ko, Sergey L.; Canfield, Paul C.

    We use magnetoresistance (MR) to probe the electronic properties of the recently discovered binary quasicrystals (QCs) i-Gd-Cd and i-Y-Cd, with and without local magnetic moments, respectively. DC magnetization has revealed spin-glass freezing in i-Gd-Cd at a temperature Tf = 4 . 6 K. MR was measured at 1 . 6 <= T (K) <= 300 and in magnetic fields H up to 12 T. The most interesting behavior is observed in i-Gd-Cd, in which the MR exhibits thermo-magnetic history dependence at low T. In particular, there is a clear difference between the ZFC and FC values of the low-field positive MR. In contrast, the i-Y-Cd MR does not depend on magnetic history. The onset of the history dependent MR at T ~ 20 K >Tf , when the QC with local magnetic moments is cooled in a high field of 12 T, may be related to the formation of magnetic clusters above Tf, as inferred from the magnetization and specific heat studies. Possible mechanisms responsible for the striking coupling between charge transport and local magnetic environment observed in the MR will be discussed. Work at the NHMFL supported by NSF Grant No. DMR-1307075, the NSF Cooperative Agreement No. DMR-0654118 and the State of Florida. Work at Ames Lab (TK, SLB and PCC) supported by the U.S. D.O.E / B.E.S under Contract No. DE-AC02-07CH11358.

  14. Development of an icosahedral quasicrystal and two approximants in the Ca-Au-Sn system: syntheses and structural analyses.

    PubMed

    Lin, Qisheng; Corbett, John D

    2010-11-15

    The realm of Tsai-type (YCd(6)-type) quasicrystals (QCs) and their approximants (ACs) continues to expand to the east in the periodic table. The heavy tetrel Sn is now one of the major components in the new Ca(15.0(5))Au(60.0(4))Sn(25.0(2)) (atom %) icosahedral QC and in the corresponding 1/1 and 2/1 ACs. (The 2/1 AC with Yb is also established.) Single-crystal X-ray diffraction on a 1/1 AC gives the refined formula of Ca(3)Au(14.36(3))Sn(4.38(5)) in space group Im3, a = 15.131(1) Å, whereas a representative 2/1 AC gives Ca(13)Au(47.2(1))Sn(28.1(1)), Pa3 and a = 24.444(1) Å. Both ACs contain five-shell multiply endohedral triacontahedral clusters as the common building blocks, as in the parent structure of YCd(6). The 2/1 AC also contains four Ca(2)-dimer-centered prolate rhombohedra (PRs) in the unit cell. The long-range order between triacontahedra and PRs in the 2/1 AC is the same as those in Bergman-type 2/1 ACs. A TB-LMTO-ASA calculation on an ideal 1/1 AC model reveals a shallow pseudogap in the total densities-of-states data around the Fermi energy, as expected. The depth of the pseudogap is considerably enhanced through interactions between the Ca 3d states and s and p states of Au and Sn. PMID:20939550

  15. Investigation of the surface terminations of icosahedral AlPdMn quasicrystal based on a modified non-spherical model

    NASA Astrophysics Data System (ADS)

    Yu, Fengmei; Zou, Huamin; Wang, Jianbo; Wang, Renhui

    2004-10-01

    The atomic positions are obtained from a modified non-spherical model of icosahedral AlPdMn quasicrystal (Fang et al 2003 J. Phys.: Condens. Matter 15 4947) by the cut method. The four-shell pseudo-Mackay clusters (PMCs) were searched for in a box of 400 Å × 400 Å × 400 Å. The results show that the number of atoms in the fourth shell, an icosidodecahedron, of the pseudo-Mackay cluster can vary from 15 to 30 because of the cluster overlap, and about 99.96% of the total atoms are included in such incomplete pseudo-Mackay clusters. The characteristics of the atom distribution in the planes perpendicular to a fivefold axis indicate that the planes, which are 1.56 Å apart from their neighbouring planes, are expected to be the terminal surfaces. If one such a plane and its closest neighbouring plane, between which the spacing is 0.48 Å, are considered as a thin layer or a corrugated surface, these layers are also the layers with the maximum density. The pair of corrugated surfaces that are 1.56 Å apart have almost identical chemical composition. These planes form terraces that follow the rule of the Fibonacci sequence with two step heights, 6.60 and 4.08 Å. On the corrugated surfaces perpendicular to a fivefold axis the pentagonal holes arise from the interspaces of adjacent incomplete PMCs. For the atomic planes normal to a twofold axis, the planes with spacing of 1.48 Å from their adjacent planes might be expected to be the terminal surfaces, which form terraces with step heights of 6.28 and 3.88 Å following the rule of the Fibonacci sequence. For the atomic planes normal to a threefold axis, the planes with spacing of 0.86 Å from their adjacent planes might be expected to be the terminal surfaces. No similar results were found for the atomic layers perpendicular to a pseudo-twofold axis.

  16. 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.

  17. Scanning tuneeling microscopy studies of fivefold surfaces of icosahedral Al-Pd-Mn quasicrystals and of thin silver films on those surfaces

    SciTech Connect

    Unal, Baris

    2008-01-01

    The present work in this dissertation mainly focuses on the clean fivefold surfaces of i-Al-Pd-Mn quasicrystals as well as the nucleation and growth of Ag films on these surfaces. In addition, Ag film growth on NiAl(110) has been explored in the frame of this dissertation. First, we have investigated the equilibration of a fivefold surface of icosahedral Al-Pd-Mn quasicrystal at 900-915 K and 925-950 K, using Omicron variable temperature scanning tunneling microscope (STM). Annealing at low temperatures resulted in many voids on some terraces while the others were almost void-free. After annealing at 925-950K, void-rich terraces became much rarer. Our STM images suggest that through growth and coalescence of the voids, a different termination becomes exposed on host terraces. All of these observations in our study indicate that even after the quasicrystalline terrace-step structure appears, it evolves with time and temperature. More specifically, based on the STM observations, we conclude that during the annealing a wide range of energetically similar layers nucleate as surface terminations, however, with increasing temperature (and time) this distribution gets narrower via elimination of the metastable void-rich terraces. Next, we have examined the bulk structural models of icosahedral Al-Pd-Mn quasicrystal in terms of the densities, compositions and interplanar spacings for the fivefold planes that might represent physical surface terminations. In our analyses, we mainly have focused on four deterministic models which have no partial or mixed occupancy but we have made some comparisons with an undeterministic model. We have compared the models with each other and also with the available experimental data including STM, LEED-IV, XPD and LEIS. In all deterministic models, there are two different families of layers (a pair of planes), and the nondeterministic model contains similar group of planes. These two families differ in terms of the chemical decoration of

  18. Magnetic and transport properties of i-R-Cd icosahedral quasicrystals (R=Y, Gd-Tm)

    SciTech Connect

    Kong, Tai; Bud'ko, Sergey L.; Jesche, Anton; McArthur, John; Kreyssig, Andreas; Goldman, Alan I.; Canfield, Paul C.

    2014-07-01

    We present a detailed characterization of the recently discovered i-R-Cd (R=Y,Gd-Tm) binary quasicrystals by means of x-ray diffraction, temperature-dependent dc and ac magnetization, temperature-dependent resistance, and temperature-dependent specific heat measurements. Structurally, the broadening of x-ray diffraction peaks found for i-R-Cd is dominated by frozen-in phason strain, which is essentially independent of R. i-Y-Cd is weakly diamagnetic and manifests a temperature-independent susceptibility. i-Gd-Cd can be characterized as a spin glass below 4.6 K via dc magnetization cusp, a third order nonlinear magnetic susceptibility peak, a frequency-dependent freezing temperature, and a broad maximum in the specific heat. i-R-Cd (R=Ho-Tm) is similar to i-Gd-Cd in terms of features observed in thermodynamic measurements. i-Tb-Cd and i-Dy-Cd do not show a clear cusp in their zero-field-cooled dc magnetization data, but instead show a more rounded, broad local maximum. The resistivity for i-R-Cd is of order 300μΩ cm and weakly temperature dependent. The characteristic freezing temperatures for i-R-Cd (R=Gd-Tm) deviate from the de Gennes scaling, in a manner consistent with crystal electric field splitting induced local moment anisotropy.

  19. Approximant phases and an icosahedral quasicrystal in the Ca-Au-Ga system: the influence of size of gallium versus indium.

    PubMed

    Lin, Qisheng; Corbett, John D

    2008-09-01

    Two crystalline approximants (ACs) and their corresponding icosahedral quasicrystal (i-QC) are obtained in the Ca-Au-Ga system through conventional solid-state exploratory syntheses. Single crystal structural analyses reveal that the 1/1 AC, Ca 3Au x Ga 19- x ( x = approximately 9.3-12.1) [ Im3, a = 14.6941(6)-14.7594(6) A], has the empty cubes in the prototypic YCd 6 (= Y 3Cd 18) now fully occupied by Ga, resulting in a 3:19 stoichiometry. In parallel, the distorted cubes in the 2/1 AC, Ca 13Au 57.1Ga 23.4 [ Pa3, a = 23.9377(8) A] are fully or fractionally occupied by Ga. The valence electron count per atom ( e/ a) for the 2/1 AC (1.64) is smaller than that over the 1/1 AC composition range (1.76-2.02), and the e/ a of the Ca 15.2Au 50.3Ga 34.5 i-QC, 1.84, is somewhat distant from typical values for Tsai-type i-QCs ( approximately 2.0). Comparisons of the gallium results with the corresponding In phases suggest that the structural differences result mainly from size rather than electronic factors. The 1/1 and 2/1 appear to be thermodynamically stable on slow cooling, as usual, whereas the i-QC isolated by quenching decomposes on heating at approximately 660 degrees C, mainly into 2/1 AC and Ca 3(Au,Ga) 11. Calculations of the electronic structure of 1/1 AC suggest that the Fermi sphere-Brillouin zone interactions remain important for the Ca-Au-Ga i-QC. PMID:18672875

  20. Crystal chemistry and chemical order in ternary quasicrystals and approximants

    NASA Astrophysics Data System (ADS)

    Gómez, Cesar Pay; Tsai, An Pang

    2014-01-01

    In this work we review our current understanding of structure, stability and formation of icosahedral quasicrystals and approximants. The work has special emphasis on Cd-Yb type phases, but several concepts are generalized to other families of icosahedral quasicrystals and approximants. The paper handles topics such as chemical order and site preference at the cluster level for ternary phases, valence electron concentration and its influence on formation and composition, fundamental building blocks and cluster linkages, and the similarities and differences between different families of icosahedral quasicrystals and approximants.

  1. 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.

  2. Interatomic force interaction in an i-AlCuFe quasicrystal

    SciTech Connect

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

    2007-11-15

    Partial spectra of thermal vibrations of Al, Cu, and Fe atoms in an icosahedral quasicrystal have been obtained by the isotopic-contrast method in inelastic neutron scattering. Joint analysis of these results and the published data on the atomic and electronic structures of the icosahedral i-AlCuFe quasicrystal has been performed. A physical model of the quasicrystal structure is proposed that is in agreement with the existing experimental data and qualitatively describes the peculiarities of interatomic interaction.

  3. Electronic properties of quasicrystals

    NASA Astrophysics Data System (ADS)

    Berger, C.; Gozlan, A.; Fourcaudot, G.; Cyrot-Lackmann, F.; Lasjaunias, J. C.

    1991-01-01

    The electronic properties of quasi-crystals are discussed using experimental data with particular attention given to the AlMn(Si) system. A comparison is made of the electronic properties of AlMn samples of the same composition for amorphous, icosahedral, decagonal and crystalline structures. It is concluded that, for AlMn, the measured properties are very similar in the quasi-crystalline and amorphous phases but are in all respects different from those of the crystalline compound. It is suggested that this is due to the presence of many defects in these metastable quasi-crystalline structures obtained by rapid solidification. Some preliminary experiments on single grain of the new thermodynamically stable AlCuFe quasi-crystals are presented.

  4. 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

  5. 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

  6. Quantum critical state in a magnetic quasicrystal.

    PubMed

    Deguchi, Kazuhiko; Matsukawa, Shuya; Sato, Noriaki K; Hattori, Taisuke; Ishida, Kenji; Takakura, Hiroyuki; Ishimasa, Tsutomu

    2012-12-01

    Quasicrystals are metallic alloys that possess long-range, aperiodic structures with diffraction symmetries forbidden to conventional crystals. Since the discovery of quasicrystals by Schechtman et al. in 1984, there has been considerable progress in resolving their geometric structure. For example, it is well known that the golden ratio of mathematics and art occurs over and over again in their crystal structure. However, the characteristic properties of the electronic states--whether they are extended as in periodic crystals or localized as in amorphous materials--are still unresolved. Here we report the first observation of quantum (T = 0) critical phenomena of the Au-Al-Yb quasicrystal--the magnetic susceptibility and the electronic specific heat coefficient arising from strongly correlated 4f electrons of the Yb atoms diverge as T→0. Furthermore, we observe that this quantum critical phenomenon is robust against hydrostatic pressure. By contrast, there is no such divergence in a crystalline approximant, a phase whose composition is close to that of the quasicrystal and whose unit cell has atomic decorations (that is, icosahedral clusters of atoms) that look like the quasicrystal. These results clearly indicate that the quantum criticality is associated with the unique electronic state of the quasicrystal, that is, a spatially confined critical state. Finally we discuss the possibility that there is a general law underlying the conventional crystals and the quasicrystals. PMID:23042414

  7. 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.

  8. Atomic dynamics and interatomic interaction in quasicrystals

    SciTech Connect

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

    2011-12-15

    The previous experimental data on the partial spectra of thermal atomic vibrations in icosahedral (Al{sub 62}Cu{sub 25.5}Fe{sub 12.5}) and decagonal (Al{sub 71.3}Ni{sub 24}Fe{sub 4.7}) quasicrystals have been used to perform a comparative analysis of the atomic dynamics features and determine the role that Al, Cu, Ni, and Fe atoms play in the formation of interatomic interaction in the alloys studied. A physical model of the decagonal quasicrystal structure is proposed.

  9. Multiple scattering of light in three-dimensional photonic quasicrystals.

    PubMed

    Ledermann, Alexandra; Wiersma, Diederik S; Wegener, Martin; von Freymann, Georg

    2009-02-01

    Recent experiments on three-dimensional icosahedral dielectric photonic quasicrystals have shown several unexpected features: transmitted femtosecond pulses developed a trailing "diffusive" exponential tail and the sum of (zeroth-order) transmittance and reflectance was well below unity. These experimental findings have previously been ascribed to sample imperfections. Here, we analyze these findings by using 3D periodic approximants of the ideal photonic quasicrystals. We show that the experimental observations can be explained in terms of multiple scattering of light within these structures, i.e., in terms of intrinsic rather than purely extrinsic quasicrystal properties. PMID:19189014

  10. Magnetism of Al-Mn quasicrystals

    SciTech Connect

    Liu, F.; Khanna, S.N.; Magaud, L.; Jena, P. ); de Coulon, V.; Reuse, F. ); Jaswal, S.S.; He, X. ); Cyrot-Lackman, F. )

    1993-07-01

    The effect of symmetry and concentration of Mn on the magnetism of Al-Mn quasicrystals has been investigated through self-consistent density-functional calculations using molecular clusters and supercell band-structure schemes. A single Mn atom surrounded by 54 Al atoms in an icosahedral or a cuboctahedral structure is found to be nonmagnetic. However, as the Mn concentration is increased, moments develop on Mn sites whose magnitude and coupling depend on their location.

  11. 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.

  12. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy

    PubMed Central

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-01-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn 6 Mg 3 Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn 6 Mg 3 Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn 3 MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn 3 MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn 3 MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials. PMID:26066096

  13. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy

    NASA Astrophysics Data System (ADS)

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-06-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn6Mg3Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn6Mg3Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn3MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn3MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn3MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials.

  14. Direct observation of solid-state reversed transformation from crystals to quasicrystals in a Mg alloy.

    PubMed

    Liu, Jian-Fang; Yang, Zhi-Qing; Ye, Heng-Qiang

    2015-01-01

    Phase transformation of quasicrystals is of interest in various fields of science and technology. Interestingly, we directly observed unexpected solid-state epitaxial nucleation and growth of Zn6Mg3Y icosahedral quasicrystals in a Mg alloy at about 573 K which is about 300 K below the melting point of Zn6Mg3Y, in contrast to formation of quasicrystals through solidification that was usually found in many alloys. Maximizing local packing density of atoms associated with segregation of Y and Zn in Mg adjacent to Mg/Zn3MgY interfaces triggered atomic rearrangement in Mg to form icosahedra coupled epitaxially with surface distorted icosahedra of Zn3MgY, which plays a critical role in the nucleation of icosahedral clusters. A local Zn:Mg:Y ratio close to 6:3:1, corresponding to a valence electron concentration of about 2.15, should have been reached to trigger the formation of quasicrystals at Mg/Zn3MgY interfaces. The solid-state icosahedral ordering in crystals opens a new window for growing quasicrystals and understanding their atomic origin mechanisms. Epitaxial growth of quasicrystals onto crystals can modify the surface/interface structures and properties of crystalline materials. PMID:26066096

  15. New horizon in quasicrystals

    NASA Astrophysics Data System (ADS)

    Samavat, F.; Kiani, M.

    2015-11-01

    Quasicrystals (QCs) are aperiodic intermetallic alloys that possess a long range positional order. They often exhibit crystallographically forbidden symmetries, most commonly fivefold and tenfold. The forbidden symmetry is related to the fact that the atoms are arranged quasiperiodically. Quasiperiodic translational order has physical consequences. For example, since electrons and phonons in quasicrystals do not encounter a periodic potential, quasicrystals have unusual resistive and elastic properties, and these have been exploited in several applications. The purpose of this introduction is to present certain properties that are relevant to the surface science of quasicrystals, as a launching point for the other articles in this special issue of progress in surface science.

  16. 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.

  17. X-Ray and Electrostatic Levitation Undercooling Studies in Ti-Zr-Ni Quasicrystals Forming Alloys

    NASA Technical Reports Server (NTRS)

    Rogers, J. R.; Hyers, R. W.; Rathz, T. J.; Kelton, K. F.; Gangopadhyay, A. K.; Woo, G. L.; Hannet, L.; Krishnan, S.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The first undercooling nucleation measurements of electrostatic-levitated droplets of TiZrNi alloys that form the icosahedral quasicrystal phase (i-phase) are presented. The reduced undercooling for crystallization decreases with an increasing polytetrahedral order of the primary solidifying phase, supporting the existence of a developing icosahedral short-range order in the undercooled liquid. X-ray diffraction measurements made at the Advance Photon Source on levitated liquid droplets of these alloys at their liquidus temperatures, however, show no evidence for increased icosahedral order. This suggests that significant ordering only occurs below the melting temperature.

  18. Synthesis and characterization of quasicrystals in an Al-Fe-W alloy

    SciTech Connect

    Mukhopadhyay, N.K.; Weatherly, G.C.; Embury, J.D. ); Lloyd, D.J. )

    1992-07-01

    After the discovery of quasicrystals (QC) in an al-14% Mn alloy, many attempts have been made to find alloy systems which form quasicrystals. Much effort has been devoted to the study of the Al-Fe system and its modification by Cu and other elements such as Mn, Cr, Mo and Ta to improve the ease of forming icosahedral quasicrystals (IQC). Although the Al-Fe system does not form IQC, the formation of a decagonal quasicrystal (DQC) being favored, these elements promote the IQC phase. This paper considers the Al-Fe system and its modification by W and demonstrates the existence of IQC in an Al-Fe-W ternary alloy.

  19. Studies of Nucleation and Growth, Specific Heat and Viscosity of Undercooled Melts of Quasicrystals and Polytetrahedral-Phase-Forming Alloys

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.; Gangopadhyay, A. K.; Lee, G. W.; Hyers, R. W.; Rogers, J. R.; Robinson, M. B.; Rathz, T. J.; Krishnan, S.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The local atomic structures of undercooled liquid metals are presumed to be icosahedral; this order is incompatible with translational periodicity, constituting a barrier to the nucleation of the crystal phase. The extended atomic structure of the icosahedral quasicrystal (i-phase) is similar to that presumed in the undercooled liquid. Therefore, a comparison of the maximum undercooling in alloys that form the i-phase with those that form crystal phases provides a probe of the liquid structure.

  20. Quasicrystals: diversity and complexity

    NASA Astrophysics Data System (ADS)

    Dubois, Jean-Marie; Lifshitz, Ron

    2011-07-01

    Scientific presentations at ICQ11 - the 11th International Conference on Quasicrystals, which took place in Sapporo, Japan, in June 2010 - offered a variety of stimulating new experimental data and novel theoretical results. New aperiodic crystals were presented; new theoretical ideas were described; exciting experimental results were revealed; and potential applications of quasicrystals were reviewed, showing an unprecedented level of development. ICQ11 was a great success thanks to the high standard of its scientific content and to the efficiency of its organization. ICQ11 proved that quasicrystal research is sure to continue offering diverse challenges and profound insights into the complexity of matter.

  1. Quasicrystals: Making invisible materials

    NASA Astrophysics Data System (ADS)

    Boriskina, Svetlana V.

    2015-07-01

    All-dielectric photonic quasicrystals may act as zero-refractive-index homogeneous materials despite their lack of translational symmetry and periodicity, stretching wavelengths to infinity and offering applications in light wavefront sculpting and optical cloaking.

  2. Crystal electric field excitations in quasicrystal approximant TbCd6 studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Das, Pinaki; Flint, R.; Kong, T.; Canfield, P. C.; Kreyssig, A.; Goldman, A. I.; de Boissieu, M.; Lory, P.-F.; Beutier, G.; Hiroto, T.

    All of the known quasicrystals with local moments exhibit frustration and spin glass-like behavior at low temperature. The onset of the spin freezing temperature is believed to be affected by the crystal electric field (CEF) splitting of the local moments. The quasicrystal approximant TbCd6 and its related icosahedral quasicrystal phase, i-Tb-Cd, form a set of model systems to explore how magnetism evolves from a conventional lattice (approximant phase) to an aperiodic quasicrystal. Though TbCd6 shows long-range antiferromagnetic ordering (TN = 24 K), only spin glass like behavior is observed in i-Tb-Cd with a spin freezing temperature of TF = 6 K. To investigate further, we have performed inelastic neutron scattering measurements on powder samples of TbCd6 and observed two distinct CEF excitations at low energies which points to a high degeneracy of the CEF levels related to the Tb surrounding with almost icosahedral symmetry. Work at Ames Laboratory was supported by the DOE, BES, Division of Materials Sciences & Engineering, under Contract No. DE-AC02-07CH11358. This research used resources at Institut Laue-Langevin, France.

  3. The Crystallography of Quasicrystals

    NASA Astrophysics Data System (ADS)

    Rabson, David Alan

    A century ago, E. S. Fedorov, A. Schonflies, and W. Barlow, working independently, classified the 230 distinct symmetry groups of objects repeated periodically in three-dimensional space. The 230 space groups determine the symmetries of macroscopic properties and provide crystallographers with their most important tool in deducing structure; as such, they find use in biology, organic chemistry, and virology as well as in physics, geology, and materials science. With the discovery in 1984 of quasicrystals, well-ordered but aperiodic metallic alloys with crystallographically forbidden rotational symmetries, the need arose to develop a space-group theory for these new materials. Based on the work by Rokhsar, Wright, and Mermin^1 in two dimensions, Rabson, Mermin, Rokhsar, and Wright have classified all quasicrystal and crystal three -dimensional axial space groups.^2 Our classification, proceeding in reciprocal space, is elementary, does not rely on projecting higher-dimensional crystallographic space groups, and is valid for arbitrary rotational symmetry. As an additional illustration of quasicrystallographic space groups, I derive and demonstrate algorithms that produce two-dimensional tilings of rhombi with each of the possible plane-group symmetries.^3 While the analogous task for crystallographic plane groups is trivial, the lack of translational symmetry in a quasicrystal tiling makes these constructions interesting. Since the symmetry of a quasicrystal appears more naturally in reciprocal than in direct space, it is not surprising that some of the resulting tilings seem intricate, although in fact their symmetries are quite simple. ftn^1 Acta Cryst. A44, 197-211 (1988). ^2 "The Space Groups of Axial Crystals and Quasicrystals," preprint. ^3See also Rabson, Ho, and Mermin, Acta Cryst. A44, 678 (1988) and Acta Cryst. A45, 538 (1989).

  4. Optics of photonic quasicrystals

    NASA Astrophysics Data System (ADS)

    Vardeny, Z. Valy; Nahata, Ajay; Agrawal, Amit

    2013-03-01

    The physics of periodic systems are of fundamental importance and result in various phenomena that govern wave transport and interference. However, deviations from periodicity may result in higher complexity and give rise to a number of surprising effects. One such deviation can be found in the field of optics in the realization of photonic quasicrystals, a class of structures made from building blocks that are arranged using well-designed patterns but lack translational symmetry. Nevertheless, these structures, which lie between periodic and disordered structures, still show sharp diffraction patterns that confirm the existence of wave interference resulting from their long-range order. In this Review, we discuss the beautiful physics unravelled in photonic quasicrystals of one, two and three dimensions, and describe how they can influence optical transmission and reflectivity, photoluminescence, light transport, plasmonics and laser action.

  5. 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.

  6. Quasicrystals and Instabilities of the Two-Dimensional Wigner Crystal.

    NASA Astrophysics Data System (ADS)

    Cockayne, Eric James

    This work concerns two unrelated topics: quasicrystals and the two-dimensional Wigner crystal. Despite a great deal of effort since the discovery of quasicrystals in 1984 determine their atomic structures, it remains an only partially solved problem. One approach to solving the quasicrystal structure problem is to determine the structure of a finite-unit cell crystalline approximant whose structure is related to that of the quasicrystal. The structure of the approximant can be refined with respect to experimental diffraction data. This approach is developed here and then applied to the case of icosahedral AlCuFe, where large single-grain X-ray and neutron diffraction data sets are used in comparing several different models for the structure. A geometry problem that is also of interest in quasicrystallography is the problem: given a sphere radius and a desired quasiperiodic point group, how can one pack these spheres without overlap so as to achieve the highest packing fraction? A technique is, the "pinwheel construction" is given in detail that can increase the packing fraction of certain dodecagonal, octagonal and icosahedral sphere packings over those based on the "cut and project" method that use simpler shapes for the projection window. The ground state of the two-dimensional electron system is a fundamental and difficult problem in physics. Of interest is the transition between the "Wigner crystal" and fluid states and the magnetic state of the crystal. This system is first investigated in the semiclassical limit where the energies of point defects are calculated. These point defects could play a role in the melting transition, although the critical density calculated here is not in agreement with published estimates of the critical density. Then the quantum electron system is considered. Trial wavefunctions for the ground state are used that are linear superpositions of "multigaussians", where a multigaussian is a Slater determinant of gaussian one

  7. Shock synthesis of quasicrystals with implications for their origin in asteroid collisions.

    PubMed

    Asimow, Paul D; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S; Steinhardt, Paul J

    2016-06-28

    We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe(2+) 0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors. PMID:27298357

  8. Shock synthesis of quasicrystals with implications for their origin in asteroid collisions

    NASA Astrophysics Data System (ADS)

    Asimow, Paul D.; Lin, Chaney; Bindi, Luca; Ma, Chi; Tschauner, Oliver; Hollister, Lincoln S.; Steinhardt, Paul J.

    2016-06-01

    We designed a plate impact shock recovery experiment to simulate the starting materials and shock conditions associated with the only known natural quasicrystals, in the Khatyrka meteorite. At the boundaries among CuAl5, (Mg0.75Fe2+0.25)2SiO4 olivine, and the stainless steel chamber walls, the recovered specimen contains numerous micron-scale grains of a quasicrystalline phase displaying face-centered icosahedral symmetry and low phason strain. The compositional range of the icosahedral phase is Al68–73Fe11–16Cu10–12Cr1–4Ni1–2 and extends toward higher Al/(Cu+Fe) and Fe/Cu ratios than those reported for natural icosahedrite or for any previously known synthetic quasicrystal in the Al-Cu-Fe system. The shock-induced synthesis demonstrated in this experiment reinforces the evidence that natural quasicrystals formed during a shock event but leaves open the question of whether this synthesis pathway is attributable to the expanded thermodynamic stability range of the quasicrystalline phase at high pressure, to a favorable kinetic pathway that exists under shock conditions, or to both thermodynamic and kinetic factors.

  9. Single crystal growth of Al-based intermetallic phases being approximants to quasicrystals

    NASA Astrophysics Data System (ADS)

    Gille, Peter; Bauer, Birgitta; Hahne, Michael; Smontara, Ana; Dolinšek, Janez

    2011-03-01

    Decagonal (d) quasicrystals are formed in a number of Al-based ternary systems with d-AlCoNi being the best studied decagonal phase. They are highly anisotropic showing unusual properties of e.g. electric and thermal transport when measured along the periodic or quasiperiodic directions. For a long time, this has been attributed to the lack of periodicity in certain crystallographic orientations. Some neighbouring phases in the Al-Co-Ni system as well as in related ternaries consist of the same type of large icosahedral clusters, but are periodic in all three directions, sometimes with very large unit cells. Therefore, they are called approximants to the decagonal quasicrystals. They allow comparative studies of these phases as to judge whether some unusual properties of quasicrystals arise from the lack of periodicity or from the common atomic arrangements. Additional to decagonal AlCoNi quasicrystals, various approximants (monoclinic Al13(Co,Ni)4, orthorhombic Al13Co4, orthorhombic Al4(Cr,Fe), monoclinic Al13Fe4 and its ternary extensions Al13(Fe,Cr)4 and Al13(Fe,Ni)4) were grown by the Czochralski method as large single crystals as to carry out transport orientation-dependent measurements. It could be found that transport properties show remarkably similar anisotropic features when comparing corresponding crystallographic directions in these phases that can be related to the periodic stacking of layers.

  10. NMR and NQR study of the thermodynamically stable quasicrystals

    SciTech Connect

    Shastri, A.

    1995-02-10

    {sup 27}Al and {sup 61,65}Cu NMR measurements are reported for powder samples of stable AlCuFe and AlCuRu icosahedral quasicrystals and their crystalline approximants, and for a AlPdMn single grain quasicrystal. Furthermore, {sup 27}Al NQR spectra at 4.2 K have been observed in the AlCuFe and AlCuRu samples. From the quadrupole perturbed NMR spectra at different magnetic fields, and from the zero field NQR spectra, a wide distribution of local electric field gradient (EFG) tensor components and principal axis system orientations was found at the Al site. A model EFG calculation based on a 1/1 AlCuFe approximant was successful in explaining the observed NQR spectra. It is concluded that the average local gradient is largely determined by the p-electron wave function at the Al site, while the width of the distribution is due to the lattice contribution to the EFG. Comparison of {sup 63}Cu NMR with {sup 27}Al NMR shows that the EFG distribution at the two sites is similar, but that the electronic contribution to the EFG is considerably smaller at the Cu site, in agreement with a more s-type wave function of the conduction electrons.

  11. Evidence for the extraterrestrial origin of a natural quasicrystal

    PubMed Central

    Bindi, Luca; Eiler, John M.; Guan, Yunbin; Hollister, Lincoln S.; MacPherson, Glenn; Steinhardt, Paul J.; Yao, Nan

    2012-01-01

    We present evidence that a rock sample found in the Koryak Mountains in Russia and containing icosahedrite, an icosahedral quasicrystalline phase with composition Al63Cu24Fe13, is part of a meteorite, likely formed in the early solar system about 4.5 Gya. The quasicrystal grains are intergrown with diopside, forsterite, stishovite, and additional metallic phases [khatyrkite (CuAl2), cupalite (CuAl), and β-phase (AlCuFe)]. This assemblage, in turn, is enclosed in a white rind consisting of diopside, hedenbergite, spinel (MgAl2O4), nepheline, and forsterite. Particularly notable is a grain of stishovite (from the interior), a tetragonal polymorph of silica that only occurs at ultrahigh pressures (≥10 Gpa), that contains an inclusion of quasicrystal. An extraterrestrial origin is inferred from secondary ion mass spectrometry 18O/16O and 17O/16O measurements of the pyroxene and olivine intergrown with the metal that show them to have isotopic compositions unlike any terrestrial minerals and instead overlap those of anhydrous phases in carbonaceous chondrite meteorites. The spinel from the white rind has an isotopic composition suggesting that it was part of a calcium-aluminum-rich inclusion similar to those found in CV3 chondrites. The mechanism that produced this exotic assemblage is not yet understood. The assemblage (metallic copper-aluminum alloy) is extremely reduced, and the close association of aluminum (high temperature refractory lithophile) with copper (low temperature chalcophile) is unexpected. Nevertheless, our evidence indicates that quasicrystals can form naturally under astrophysical conditions and remain stable over cosmic timescales, giving unique insights on their existence in nature and stability. PMID:22215583

  12. Evidence for the extraterrestrial origin of a natural quasicrystal.

    PubMed

    Bindi, Luca; Eiler, John M; Guan, Yunbin; Hollister, Lincoln S; MacPherson, Glenn; Steinhardt, Paul J; Yao, Nan

    2012-01-31

    We present evidence that a rock sample found in the Koryak Mountains in Russia and containing icosahedrite, an icosahedral quasicrystalline phase with composition Al(63)Cu(24)Fe(13), is part of a meteorite, likely formed in the early solar system about 4.5 Gya. The quasicrystal grains are intergrown with diopside, forsterite, stishovite, and additional metallic phases [khatyrkite (CuAl(2)), cupalite (CuAl), and β-phase (AlCuFe)]. This assemblage, in turn, is enclosed in a white rind consisting of diopside, hedenbergite, spinel (MgAl(2)O(4)), nepheline, and forsterite. Particularly notable is a grain of stishovite (from the interior), a tetragonal polymorph of silica that only occurs at ultrahigh pressures (≥ 10 Gpa), that contains an inclusion of quasicrystal. An extraterrestrial origin is inferred from secondary ion mass spectrometry (18)O/(16)O and (17)O/(16)O measurements of the pyroxene and olivine intergrown with the metal that show them to have isotopic compositions unlike any terrestrial minerals and instead overlap those of anhydrous phases in carbonaceous chondrite meteorites. The spinel from the white rind has an isotopic composition suggesting that it was part of a calcium-aluminum-rich inclusion similar to those found in CV3 chondrites. The mechanism that produced this exotic assemblage is not yet understood. The assemblage (metallic copper-aluminum alloy) is extremely reduced, and the close association of aluminum (high temperature refractory lithophile) with copper (low temperature chalcophile) is unexpected. Nevertheless, our evidence indicates that quasicrystals can form naturally under astrophysical conditions and remain stable over cosmic timescales, giving unique insights on their existence in nature and stability. PMID:22215583

  13. Natural quasicrystal with decagonal symmetry

    PubMed Central

    Bindi, Luca; Yao, Nan; Lin, Chaney; Hollister, Lincoln S.; Andronicos, Christopher L.; Distler, Vadim V.; Eddy, Michael P.; Kostin, Alexander; Kryachko, Valery; MacPherson, Glenn J.; Steinhardt, William M.; Yudovskaya, Marina; Steinhardt, Paul J.

    2015-01-01

    We report the first occurrence of a natural quasicrystal with decagonal symmetry. The quasicrystal, with composition Al71Ni24Fe5, was discovered in the Khatyrka meteorite, a recently described CV3 carbonaceous chondrite. Icosahedrite, Al63Cu24Fe13, the first natural quasicrystal to be identified, was found in the same meteorite. The new quasicrystal was found associated with steinhardtite (Al38Ni32Fe30), Fe-poor steinhardtite (Al50Ni40Fe10), Al-bearing trevorite (NiFe2O4) and Al-bearing taenite (FeNi). Laboratory studies of decagonal Al71Ni24Fe5 have shown that it is stable over a narrow range of temperatures, 1120 K to 1200 K at standard pressure, providing support for our earlier conclusion that the Khatyrka meteorite reached heterogeneous high temperatures [1100 < T(K) ≤ 1500] and then rapidly cooled after being heated during an impact-induced shock that occurred in outer space 4.5 Gya. The occurrences of metallic Al alloyed with Cu, Ni, and Fe raises new questions regarding conditions that can be achieved in the early solar nebula. PMID:25765857

  14. Natural quasicrystal with decagonal symmetry.

    PubMed

    Bindi, Luca; Yao, Nan; Lin, Chaney; Hollister, Lincoln S; Andronicos, Christopher L; Distler, Vadim V; Eddy, Michael P; Kostin, Alexander; Kryachko, Valery; MacPherson, Glenn J; Steinhardt, William M; Yudovskaya, Marina; Steinhardt, Paul J

    2015-01-01

    We report the first occurrence of a natural quasicrystal with decagonal symmetry. The quasicrystal, with composition Al71Ni24Fe5, was discovered in the Khatyrka meteorite, a recently described CV3 carbonaceous chondrite. Icosahedrite, Al63Cu24Fe13, the first natural quasicrystal to be identified, was found in the same meteorite. The new quasicrystal was found associated with steinhardtite (Al38Ni32Fe30), Fe-poor steinhardtite (Al50Ni40Fe10), Al-bearing trevorite (NiFe2O4) and Al-bearing taenite (FeNi). Laboratory studies of decagonal Al71Ni24Fe5 have shown that it is stable over a narrow range of temperatures, 1120 K to 1200 K at standard pressure, providing support for our earlier conclusion that the Khatyrka meteorite reached heterogeneous high temperatures [1100 < T(K) ≤ 1500] and then rapidly cooled after being heated during an impact-induced shock that occurred in outer space 4.5 Gya. The occurrences of metallic Al alloyed with Cu, Ni, and Fe raises new questions regarding conditions that can be achieved in the early solar nebula. PMID:25765857

  15. Pressure-Driven Quantum Criticality and T/H Scaling in the Icosahedral Au-Al-Yb Approximant

    NASA Astrophysics Data System (ADS)

    Matsukawa, Shuya; Deguchi, Kazuhiko; Imura, Keiichiro; Ishimasa, Tsutomu; Sato, Noriaki K.

    2016-06-01

    We report on ac magnetic susceptibility measurements under pressure of the Au-Al-Yb alloy, a crystalline approximant to the icosahedral quasicrystal that shows unconventional quantum criticality. In describing the susceptibility as χ(T)-1 - χ(0)-1 ∝ Tγ, we find that χ(0)-1 decreases with increasing pressure and vanishes to zero at the critical pressure P{c} ≃ 2 GPa, with γ ( ≃ 0.5) unchanged. We suggest that this quantum criticality emerges owing to critical valence fluctuations. Above Pc, the approximant undergoes a magnetic transition at T ≃ 100 mK. These results are contrasted with the fact that, in the quasicrystal, the quantum criticality is robust against the application of pressure. The applicability of the so-called T/H scaling to the approximant is also discussed.

  16. 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.

  17. Subcellular neuronal quasicrystals: Implications for consciousness

    PubMed Central

    Gardiner, John

    2015-01-01

    Neuron neurotransmitter receptors are in general pentameric. This enables them to form pentagonal components in biological quasicrystals (similar to mathematical aperiodic tilings). As quasicrystals have been proposed to require quantum effects to exist this might introduce such effects as a component of neurotransmission and thus consciousness. Microtubules may play a role in the clustering of the receptors into quasicrystals, thus modulating their function and may even form quasicrystals themselves. Other quaiscrystals in neurons are potentially formed by water, cholera toxin complexes, and the cytoskeletal components actin and ankyrin. PMID:26478770

  18. Subcellular neuronal quasicrystals: Implications for consciousness

    PubMed Central

    Gardiner, John

    2015-01-01

    Neuron neurotransmitter receptors are in general pentameric. This enables them to form pentagonal components in biological quasicrystals (similar to mathematical aperiodic tilings). As quasicrystals have been proposed to require quantum effects to exist this might introduce such effects as a component of neurotransmission and thus consciousness. Microtubules may play a role in the clustering of the receptors into quasicrystals, thus modulating their function and may even form quasicrystals themselves. Other quaiscrystals in neurons are potentially formed by water, cholera toxin complexes, and the cytoskeletal components actin and ankyrin. PMID:26629259

  19. Atomic structure of the i-R -Cd quasicrystals and consequences for magnetism

    NASA Astrophysics Data System (ADS)

    Yamada, T.; Takakura, H.; Kong, T.; Das, P.; Jayasekara, W. T.; Kreyssig, A.; Beutier, G.; Canfield, P. C.; de Boissieu, M.; Goldman, A. I.

    2016-08-01

    We report on the six-dimensional (6D) structural refinement of three members of the i-R -Cd quasicrystals (R = Gd, Dy, Tm) via synchrotron x-ray diffraction from single-grain samples, and show that this series is isostructural to the i-YbCd5.7 quasicrystal. However, our refinements suggest that the R occupancy on the Yb icosahedron sites within the Tsai-type atomic cluster is approximately 80%, with the balance taken up by Cd. Similarities between the i-R -Cd series and i-ScZn7.33, and their differences with i-YbCd5.7 and i-Ca15Cd85 , indicate that there are at least two subclasses of Tsai-type icosahedral quasicrystals. We further show from x-ray resonant magnetic scattering (XRMS) measurements on a set of closely related Tb1 -xYxCd6 1/1 approximants that the dilution of the magnetic R ions on the icosahedron within the Tsai-type cluster by nonmagnetic Y disrupts the commensurate magnetic ordering in the approximant phase.

  20. Mosaic two-lengthscale quasicrystals.

    PubMed

    Dotera, T; Oshiro, T; Ziherl, P

    2014-02-13

    Over the past decade, quasicrystalline order has been observed in many soft-matter systems: in dendritic micelles, in star and tetrablock terpolymer melts and in diblock copolymer and surfactant micelles. The formation of quasicrystals from such a broad range of 'soft' macromolecular micelles suggests that they assemble by a generic mechanism rather than being dependent on the specific chemistry of each system. Indeed, micellar softness has been postulated and shown to lead to quasicrystalline order. Here we theoretically explore this link by studying two-dimensional hard disks decorated with step-like square-shoulder repulsion that mimics, for example, the soft alkyl shell around the aromatic core in dendritic micelles. We find a family of quasicrystals with 10-, 12-, 18- and 24-fold bond orientational order which originate from mosaics of equilateral and isosceles triangles formed by particles arranged core-to-core and shoulder-to-shoulder. The pair interaction responsible for these phases highlights the role of local packing geometry in generating quasicrystallinity in soft matter, complementing the principles that lead to quasicrystal formation in hard tetrahedra. Based on simple interparticle potentials, quasicrystalline mosaics may well find use in diverse applications ranging from improved image reproduction to advanced photonic materials. PMID:24487618

  1. High-Temperature NMR Studies of Quasicrystals and Polymers

    NASA Astrophysics Data System (ADS)

    Hill, Edward Arthur

    1995-01-01

    Icosahedral alloys such as rm Al _{65}Cu_{20}Ru_ {15}, Al_{62.5}Cu_ {24.5}Fe_{13}, and rm Al_{70}Pd_{20}Re _{10} have motivated a great deal of experimental and theoretical effort to understand fundamental issues such as the electronic structure, "lattice" dynamics, and thermodynamic stability of quasicrystalline materials. It has been shown here that Nuclear Magnetic Resonance (NMR) is a useful tool for exploring many of the essential properties of quasicrystal alloys and the so-called approximant phase alloys. Specifically, the ^{27 }Al Knight shift has been used here to study the electronic density of states in these alloys up to temperatures of 1200 K. Furthermore, ^{27}Al nuclear spin-lattice and spin-spin relaxation measurements across a wide temperature range have been used to show that the dynamic processes found in quasicrystals are quite different from those found in some crystalline alloys of similar compositions. In addition, two-dimensional exchange experiments have been employed to study the dynamics of these materials. Finally, the semiconducting alloy rm Al_2Ru has also been studied by the techniques mentioned above. It has also been demonstrated here that high temperature NMR techniques are useful in the study of organic polymers. These experiments focus on determining the timescales and other aspects of molecular motion for several specific samples. ^2H NMR measurements, including the ^2H two-dimensional exchange technique, on the high temperature polymer polybenzamidazole (PBI) are described here. ^2H NMR results for high melting temperature copolyester liquid crystals of the PCnNBB family will also be discussed. An assessment of the high temperature motion in these samples is relevant to an understanding of the physical properties that influence their high temperature applications and high temperature processing.

  2. Synthesis and Characterization of Bulk Al-Cu-Fe Based Quasicrystals and Composites by Spray Forming

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, N. K.; Uhlenwinkel, V.; Srivastava, V. C.

    2015-06-01

    The bulk quasicrystalline (QC) materials and their composites have attracted considerable interest due to their promising mechanical properties. In the present investigation, spray forming has been used to synthesize bulk single-phase icosahedral quasicrystals and composites in Al62.5Cu25Fe12.5 system as well as in quaternary system containing 10% Sn. The elemental materials were induction melted under nitrogen cover and a billet of 250 mm in diameter and 350 mm in height was spray formed. The phase constitution of the spray-formed materials showed a bulk single-phase icosahedral quasicrystal as a major phase along with other crystalline phases. A large number of annealing twins were observed in the microstructure in ternary AlCuFe alloys. It is interesting to note that due to addition of Sn, the volume fraction of β-Al(CuFe) phase was found to increase and annealing twins were almost absent. The hardness of the single-phase AlCuFe alloy and Sn-containing composites was found to be 8.6 and 6.0 GPa, respectively, at a load of 300 g. In general, the hardness decreases with heat treatment at high temperatures. However, in case of Sn-containing alloy, hardness increases with low-temperature heat treatment. Long and hair-like cracks (Palmqvist type) are observed to form from the corner of the indentations of the ternary alloys, whereas in Sn-containing composites, the cracks are not sharp and long suggesting the enhancement of fracture toughness in the composites. Attempts have been made to understand the effect of Sn on the evolution of icosahedral phase, other crystalline phases and their composite effects on the mechanical properties.

  3. Precipitates in a quasicrystal-strengthened Al–Mn–Be–Cu alloy

    SciTech Connect

    Zupanič, Franc; Wang, Di; Gspan, Cristian; Bončina, Tonica

    2015-08-15

    In this work, an Al–Mn–Be–Cu alloy was studied containing a primary and eutectic icosahedral quasicrystalline phase in the as-cast microstructure. Special attention was given to a transmission electron microscopy investigation of precipitates formed within the aluminium solid solution (Al{sub ss}) at different temperatures. At 200 °C, only binary Al–Cu precipitates (θ′) were formed. At 300 °C, icosahedral quasicrystalline (IQC) precipitates prevailed with a crystallographic orientation relationship with the Al{sub ss.} The rods of the T-phase (Al{sub 20}Mn{sub 3}Cu{sub 2}) which were precipitated above 400 °C, also had a specific orientation relationship with the Al{sub ss}. The primary and eutectic IQC microstructural constituent started to transform rapidly to the T-phase and Be{sub 4}Al(Mn,Cu) at 500 °C. - Highlights: • In a quasicrystal-strengthened Al-alloy several types of precipitates can form. • At 200 °C, only binary Al–Cu precipitates formed (Al{sub 2}Cu-θ′). • The icosahedral quasicrystalline (IQC) precipitates prevailed at 300 °C. • T-phase (Al{sub 20}Mn{sub 3}Cu{sub 2}) precipitated at temperatures above 400 °C. • The precipitation of different phases did not have a strong effect on hardness.

  4. Faceting and roughening in quasicrystals

    NASA Technical Reports Server (NTRS)

    Garg, Anupam; Levine, Dov

    1987-01-01

    The question whether quasi-crystal shapes should be faceted is studied in a simple model of quasi-crystalline order. At T = 0, the model is proved to yield a completely faceted equilibrium shape in both two and three dimensions. At T greater than 0, an interface model is derived for a two-dimensional Penrose tiling. By mapping it onto a one-dimensional quasi-periodic Schroedinger equation, it is shown that the roughness exponent varies continuously with T at low T.

  5. Dynamics of phason fluctuations in the i-AlPdMn quasicrystal.

    PubMed

    Francoual, S; Livet, F; de Boissieu, M; Yakhou, F; Bley, F; Létoublon, A; Caudron, R; Gastaldi, J

    2003-11-28

    We report on the study of the dynamics of long wavelength phason fluctuations in the i-AlPdMn icosahedral phase using coherent x-ray scattering. When measured with a coherent x-ray beam, the diffuse intensity due to phasons presents strong fluctuations or speckles pattern. From room temperature to 500 degrees C the speckle pattern is time independent. At 650 degrees C the time correlation of the speckle pattern exhibits an exponential time decay, from which a characteristic time tau is extracted. We find that tau is proportional to the square of the phason wavelength, which demonstrates that phasons are collective diffusive modes in quasicrystals, in agreement with theoretical predictions. PMID:14683248

  6. Quasicrystals in Medieval Islamic Architecture

    NASA Astrophysics Data System (ADS)

    Lu, Peter

    2009-03-01

    The conventional view holds that girih (geometric star-and-polygon) patterns in medieval Islamic architecture were conceived by their designers as a network of zigzagging lines, and drafted directly with a straightedge and a compass. I discuss our recent findings that, by 1200 A. D., a conceptual breakthrough occurred in which girih patterns were reconceived as tessellations of a special set of equilateral polygons (girih tiles) decorated with lines. These girih tiles enabled the creation of increasingly complex periodic girih patterns, and by the 15th century, the tessellation approach was combined with self-similar transformations to construct nearly-perfect quasicrystalline patterns. These patterns have remarkable properties; they do not repeat periodically, and have special symmetry---and were not understood in the West until the 1970s. I will discuss some of the properties of Islamic quasicrystalline tilings, and their relation to the Penrose tiling, perhaps the best known quasicrystal pattern.

  7. Surface Characteristics of Quasicrystal Thin Films of AlCuFe

    NASA Astrophysics Data System (ADS)

    Symko, Orest G.; Abdel-Rahman, Ehab; Emmi, Matthew; Zudova, Snezhana

    2000-03-01

    We have investigated the surface energy and surface structure of thin films of i-AlCuFe. Such films are important for applications and in particular for coatings. The films investigated ranged in thickness from 10 nm to 300 nm; they were deposited on various substrates such as sapphire, silicon, stainless steel, and others. The surface energy was determined by contact angle measurements using the drop method. Results show contact angles comparable to Teflon. Studies were extended to the surface structure using an Atomic Force Microscope at ambient conditions. Images show extremely smooth surfaces which at certain locations provide evidence for the icosahedral symmetries of the quasicrystal. Such images were enhanced by auto-correlation techniques thus revealing more clearly the symmetries at the surface of the films. Other techniques such as x-ray diffraction, TEM, XPS and ToF-SIMS were used to determine the quality of the quasicrystal films and the nature of the surface. This characterization is essential for biomedical applications of our QC coatings.

  8. Observation of topological phase transitions in photonic quasicrystals.

    PubMed

    Verbin, Mor; Zilberberg, Oded; Kraus, Yaacov E; Lahini, Yoav; Silberberg, Yaron

    2013-02-15

    Topological insulators and topological superconductors are distinguished by their bulk phase transitions and gapless states at a sharp boundary with the vacuum. Quasicrystals have recently been found to be topologically nontrivial. In quasicrystals, the bulk phase transitions occur in the same manner as standard topological materials, but their boundary phenomena are more subtle. In this Letter we directly observe bulk phase transitions, using photonic quasicrystals, by constructing a smooth boundary between topologically distinct one-dimensional quasicrystals. Moreover, we use the same method to experimentally confirm the topological equivalence between the Harper and Fibonacci quasicrystals. PMID:25166388

  9. Generalized dynamics of moving dislocations in quasicrystals

    NASA Astrophysics Data System (ADS)

    Agiasofitou, Eleni; Lazar, Markus; Kirchner, Helmut

    2010-12-01

    A theoretical framework for dislocation dynamics in quasicrystals is provided according to the continuum theory of dislocations. Firstly, we present the fundamental theory for moving dislocations in quasicrystals giving the dislocation density tensors and introducing the dislocation current tensors for the phonon and phason fields, including the Bianchi identities. Next, we give the equations of motion for the incompatible elastodynamics as well as for the incompatible elasto-hydrodynamics of quasicrystals. We continue with the derivation of the balance law of pseudomomentum thereby obtaining the generalized forms of the Eshelby stress tensor, the pseudomomentum vector, the dynamical Peach-Koehler force density and the Cherepanov force density for quasicrystals. The form of the dynamical Peach-Koehler force for a straight dislocation is obtained as well. Moreover, we deduce the balance law of energy that gives rise to the generalized forms of the field intensity vector and the elastic power density of quasicrystals. The above balance laws are produced for both models. The differences between the two models and their consequences are revealed. The influences of the phason fields as well as of the dynamical terms are also discussed.

  10. Generalized dynamics of moving dislocations in quasicrystals.

    PubMed

    Agiasofitou, Eleni; Lazar, Markus; Kirchner, Helmut

    2010-12-15

    A theoretical framework for dislocation dynamics in quasicrystals is provided according to the continuum theory of dislocations. Firstly, we present the fundamental theory for moving dislocations in quasicrystals giving the dislocation density tensors and introducing the dislocation current tensors for the phonon and phason fields, including the Bianchi identities. Next, we give the equations of motion for the incompatible elastodynamics as well as for the incompatible elasto-hydrodynamics of quasicrystals. We continue with the derivation of the balance law of pseudomomentum thereby obtaining the generalized forms of the Eshelby stress tensor, the pseudomomentum vector, the dynamical Peach-Koehler force density and the Cherepanov force density for quasicrystals. The form of the dynamical Peach-Koehler force for a straight dislocation is obtained as well. Moreover, we deduce the balance law of energy that gives rise to the generalized forms of the field intensity vector and the elastic power density of quasicrystals. The above balance laws are produced for both models. The differences between the two models and their consequences are revealed. The influences of the phason fields as well as of the dynamical terms are also discussed. PMID:21406784

  11. Luminescence properties of a Fibonacci photonic quasicrystal.

    PubMed

    Passias, V; Valappil, N V; Shi, Z; Deych, L; Lisyansky, A A; Menon, V M

    2009-04-13

    An active one-dimensional Fibonacci photonic quasi-crystal is realized via spin coating. Luminescence properties of an organic dye embedded in the quasi-crystal are studied experimentally and compared to theoretical simulations. The luminescence occurs via the pseudo-bandedge mode and follows the dispersion properties of the Fibonacci crystal. Time resolved luminescence measurement of the active structure shows faster spontaneous emission rate, indicating the effect of the large photon densities available at the bandedge due to the presence of critically localized states. The experimental results are in good agreement with the theoretical calculations for steady-state luminescence spectra. PMID:19365490

  12. Crystalline and quasicrystalline allotropes of Pb formed on the fivefold surface of icosahedral Ag-In-Yb

    SciTech Connect

    Sharma, H. R. Smerdon, J. A.; Nugent, P. J.; Ribeiro, A.; McGrath, R.; McLeod, I.; Dhanak, V. R.; Shimoda, M.; Tsai, A. P.

    2014-05-07

    Crystalline and quasicrystalline allotropes of Pb are formed by evaporation on the fivefold surface of the icosahedral (i) Ag-In-Yb quasicrystal under ultra-high vacuum. Lead grows in three dimensional quasicrystalline order and subsequently forms fivefold-twinned islands with the fcc(111) surface orientation atop of the quasicrystalline Pb. The islands exhibit specific heights (magic heights), possibly due to the confinement of electrons in the islands. We also study the adsorption behavior of C{sub 60} on the two allotropes of Pb. Scanning tunneling microcopy reveals that a high corrugation of the quasicrystalline Pb limits the diffusion of the C{sub 60} molecules and thus produces a disordered film, similar to adsorption behavior of the same molecules on the clean substrate surface. However, the sticking coefficient of C{sub 60} molecules atop the Pb islands approaches zero, regardless of the overall C{sub 60} coverage.

  13. Surfaces of Intermetallics: Quasicrystals and Beyond

    SciTech Connect

    Yuen, Chad

    2012-01-01

    The goal of this work is to characterize surfaces of intermetallics, including quasicrystals. In this work, surface characterization is primarily focused on composition and structure using X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM) performed under ultrahigh vacuum (UHV) conditions.

  14. Omnidirectional reflection from generalized Fibonacci quasicrystals.

    PubMed

    Barriuso, Alberto G; Monzón, Juan J; Yonte, Teresa; Felipe, Angel; Sánchez-Soto, Luis L

    2013-12-01

    We determine the optimal thicknesses for which omnidirectional reflection from generalized Fibonacci quasicrystals occurs. By capitalizing on the idea of wavelength- and angle-averaged reflectance, we assess in a consistent way the performance of the different systems. Our results indicate that some of these aperiodic arrangements can largely over-perform the conventional photonic crystals as omnidirectional reflection is concerned. PMID:24514554

  15. Two-Band Fibonacci Quasicrystal with Hybridization:. Exact Local GREEN’S Function Using the Renormalization-Group Method

    NASA Astrophysics Data System (ADS)

    Chakrabarti, A.; Karmakar, S. N.; Moitra, R. K.

    In this paper we present a study of the electronic properties of a one-dimensional Fibonacci chain with two hybridizing bands. Our study is motivated by recent experiments with quasicrystals in which transition metal atoms occupy positions of icosahedral symmetry. Using a recently proposed real space renormalization group scheme we make an exact analytical study of the two-band problem. We examine the effect of hybridization on the energy spectrum, the wave functions and the density of states of the Fibonacci chain. We find that the spectrum continues to remain a Cantor set even in the presence of hybridization. We conclude therefore this property of the spectrum is a purely structural effect. We present our results on the electronic density of states and show how hybridization produces additional structures in the energy spectrum.

  16. 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.

  17. 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

  18. 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.

  19. Discussion on the surface science of quasicrystals

    SciTech Connect

    Thiel, P.A.

    2008-05-01

    This paper contains a short review of four aspects of the surface science of quasicrystals, together with a list of challenges for the scientific community in the near future. The first issue concerns the ability of surface science to shed light on bulk atomic structure. The second is the use of surfaces as quasiperiodic templates, particularly for films of periodic metals. Here, enforcing quasiperiodicity in the film may lead to unusual magnetic, tribological or adsorption properties. The third aspect concerns the effects of surface phasons and phonons on dynamical interactions with adsorbates, such as sticking coefficient, as well as on diffusion between the surface and near-surface region. The final area is tribology, where studies of quasicrystals have suggested that both adhesion and phononic friction may be important.

  20. Eighteenth-century forms of quasicrystals.

    PubMed

    Pina, Carlos M; López-Acevedo, Victoria

    2016-01-01

    A careful inspection of the drawings and baked clay models created by the mineralogist Romé de L'Isle in the 18th century has revealed the existence of a number of intriguing forms with pentagonal symmetries. These forms cannot be classified in any of the 32 crystal classes. They can thus be considered the first crystallographic descriptions of polyhedral forms found in quasicrystals two centuries later. This paper presents a symmetry analysis of the fascinating drawings and clay models with pentagonal symmetries described in the book Cristallographie published in 1783 by Romé de L'Isle, as well as a comparison with quasicrystals recently synthesized. The paper also briefly discusses what could induce Romé de L'Isle to consider forms with pentagonal symmetries as plausible crystal forms. PMID:26697870

  1. Fibonacci, quasicrystals and the beauty of flowers

    PubMed Central

    Gardiner, John

    2012-01-01

    The appearance of Fibonacci sequences and the golden ratio in plant structures is one of the great outstanding puzzles of biology. Here I suggest that quasicrystals, which naturally pack in the golden ratio, may be ubiquitous in biological systems and introduce the golden ratio into plant phyllotaxy. The appearance of golden ratio-based structures as beautiful indicates that the golden ratio may play a role in the development of consciousness and lead to the aesthetic natural selection of flowering plants. PMID:23072998

  2. Photonic quasi-crystal terahertz lasers

    PubMed Central

    Vitiello, Miriam Serena; Nobile, Michele; Ronzani, Alberto; Tredicucci, Alessandro; Castellano, Fabrizio; Talora, Valerio; Li, Lianhe; Linfield, Edmund H.; Davies, A. Giles

    2014-01-01

    Quasi-crystal structures do not present a full spatial periodicity but are nevertheless constructed starting from deterministic generation rules. When made of different dielectric materials, they often possess fascinating optical properties, which lie between those of periodic photonic crystals and those of a random arrangement of scatterers. Indeed, they can support extended band-like states with pseudogaps in the energy spectrum, but lacking translational invariance, they also intrinsically feature a pattern of ‘defects’, which can give rise to critically localized modes confined in space, similar to Anderson modes in random structures. If used as laser resonators, photonic quasi-crystals open up design possibilities that are simply not possible in a conventional periodic photonic crystal. In this letter, we exploit the concept of a 2D photonic quasi crystal in an electrically injected laser; specifically, we pattern the top surface of a terahertz quantum-cascade laser with a Penrose tiling of pentagonal rotational symmetry, reaching 0.1–0.2% wall-plug efficiencies and 65 mW peak output powers with characteristic surface-emitting conical beam profiles, result of the rich quasi-crystal Fourier spectrum. PMID:25523102

  3. Levitated crystals and quasicrystals of metamaterials

    SciTech Connect

    Wang, Zhehui; Morris, Christopher; Goree, John A

    2012-07-25

    New scientific and technological opportunities exist by marrying dusty plasma research with metamaterials. Specifically, by balancing control and self-assembly, certain laboratory plasmas can become a generic levitation platform for novel structure formation and nanomaterial synthesis. We propose to experimentally investigate two dimensional (2D) and three dimensional (3D) levitated structures of metamaterials and their properties. Such structures can self assemble in laboratory plasmas, similar to levitated dust crystals which were discovered in the mid 1990's. Laboratory plasma platform for metamaterial formation eliminates substrates upon which most metamaterials have to be supported. Three types of experiments, with similar setups, are discussed here. Levitated crystal structures of metamaterials using anisotropic microparticles are the most basic of the three. The second experiment examines whether quasicrystals of metamaterials are possible. Quasicrystals, discovered in the 1980's, possess so-called forbidden symmetries according to the conventional crystallography. The proposed experiment could answer many fundamental questions about structural, thermal and dynamical properties of quasicrystals. And finally, how to use nanoparticle coated microparticles to synthesize very long carbon nanotubes is also described. All of the experiments can fit inside a standard International Space Station locker with dimensions of 8-inch x 17-inch X 18-inch. Microgravity environment is deemed essential in particular for large 3D structures and very long carbon nanotube synthesis.

  4. 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

  5. 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.

  6. Gabor frames for quasicrystals and K-theory

    NASA Astrophysics Data System (ADS)

    Kreisel, Michael

    We study the connection between Gabor frames for quasicrystals, the topology of the hull of a quasicrystal, and the K-theory of an associated twisted groupoid algebra. In particular, we construct a finitely generated projective module over this algebra, and multiwindow Gabor frames can be used to construct an idempotent representing the module in K-theory. For lattice subsets in dimension two, this allows us to prove a twisted version of Bellissard's gap labeling theorem. By viewing Gabor frames in this operator algebraic framework, we are also able to show that for certain quasicrystals it is not possible to construct a tight multiwindow Gabor frame.

  7. Fibonacci optical lattices for tunable quantum quasicrystals

    NASA Astrophysics Data System (ADS)

    Singh, K.; Saha, K.; Parameswaran, S. A.; Weld, D. M.

    2015-12-01

    We describe a quasiperiodic optical lattice, created by a physical realization of the abstract cut-and-project construction underlying all quasicrystals. The resulting potential is a generalization of the Fibonacci tiling. Calculation of the energies and wave functions of ultracold atoms loaded into such a lattice demonstrate a multifractal energy spectrum, a singular continuous momentum-space structure, and the existence of controllable edge states. These results open the door to cold atom quantum simulation experiments in tunable or dynamic quasicrystalline potentials, including topological pumping of edge states and phasonic spectroscopy.

  8. Preparation and wear resistance of Ti-Zr-Ni quasicrystal and polyamide composite materials

    NASA Astrophysics Data System (ADS)

    Wang, Xinlu; Li, Xuesong; Zhang, Zhenjiang; Zhang, Shanshan; Liu, Wanqiang; Wang, Limin

    2011-07-01

    Ti-Zr-Ni icosahedral quasicrystal powders (Ti-QC), prepared by mechanical alloying and then annealing in a vacuum furnace, were used as a novel filler material in polyamide 12 (PA12). The melt processability of the composite was studied using a Haake torque rheometer. This indicates that PA12/Ti-QC composites can be melt-processed into a wear-resistant material. Further, these composites, fabricated by compression molding, were tested in sliding wear against a polished bearing steel counterface. The results from wear testing show that the addition of Ti-QC filler to PA12 enhances wear resistance and reduces volume loss by half compared with neat PA12. Furthermore, it is found that the hardness of the composite increases with increasing content of Ti-QC filler. In addition, PA12/Ti-QC composites exhibit a slightly higher crystallization temperature and better thermal stability than PA12. These combined results demonstrate that Ti-QC filler may be a desirable alternative when attempting to increase the wear resistance of PA12.

  9. Emergent quasicrystals in strongly correlated systems

    NASA Astrophysics Data System (ADS)

    Sagi, Eran; Nussinov, Zohar

    2016-07-01

    Commensurability is of paramount importance in numerous strongly interacting electronic systems. In the fractional quantum Hall effect, a rich cascade of increasingly narrow plateaux appear at larger denominator filling fractions. Rich commensurate structures also emerge, at certain filling fractions, in high temperature superconductors and other electronic systems. A natural question concerns the character of these and other electronic systems at irrational filling fractions. Here we demonstrate that quasicrystalline structures naturally emerge in these situations, and trigger behaviors not typically expected of periodic systems. We first show that irrationally filled quantum Hall systems cross over into quasiperiodically ordered configuration in the thin-torus limit. Using known properties of quasicrystals, we argue that these states are unstable against the effects of disorder, in agreement with the existence of quantum Hall plateaux. We then study analogous physical situations in a system of cold Rydberg atoms placed on an optical lattice. Such an experimental setup is generally disorder free, and can therefore be used to detect the emergent quasicrystals we predict. We discuss similar situations in the Falicov-Kimball model, where known exact results can be used to establish quasicrystalline structures in one and two dimensions. We briefly speculate on possible relations between our theoretical findings and the existence of glassy dynamics and other features of strongly correlated electronic systems.

  10. One-Dimensional Quasicrystals from Incommensurate Charge Order

    NASA Astrophysics Data System (ADS)

    Flicker, Felix; van Wezel, Jasper

    2015-12-01

    Artificial quasicrystals are nowadays routinely manufactured, yet only two naturally occurring examples are known. We present a class of systems with the potential to be realized both artificially and in nature, in which the lowest energy state is a one-dimensional quasicrystal. These systems are based on incommensurately charge-ordered materials, in which the quasicrystalline phase competes with the formation of a regular array of discommensurations as a way of interpolating between incommensurate charge order at high temperatures and commensurate order at low temperatures. The nonlocal correlations characteristic of the quasicrystalline state emerge from a free-energy contribution localized in reciprocal space. We present a theoretical phase diagram showing that the required material properties for the appearance of such a ground state allow for one-dimensional quasicrystals to form in real materials. The result is a potentially wide class of one-dimensional quasicrystals.

  11. 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.

  12. Topological Photonic Quasicrystals: Fractal Topological Spectrum and Protected Transport

    NASA Astrophysics Data System (ADS)

    Bandres, Miguel A.; Rechtsman, Mikael C.; Segev, Mordechai

    2016-01-01

    We show that it is possible to have a topological phase in two-dimensional quasicrystals without any magnetic field applied, but instead introducing an artificial gauge field via dynamic modulation. This topological quasicrystal exhibits scatter-free unidirectional edge states that are extended along the system's perimeter, contrary to the states of an ordinary quasicrystal system, which are characterized by power-law decay. We find that the spectrum of this Floquet topological quasicrystal exhibits a rich fractal (self-similar) structure of topological "minigaps," manifesting an entirely new phenomenon: fractal topological systems. These topological minigaps form only when the system size is sufficiently large because their gapless edge states penetrate deep into the bulk. Hence, the topological structure emerges as a function of the system size, contrary to periodic systems where the topological phase can be completely characterized by the unit cell. We demonstrate the existence of this topological phase both by using a topological index (Bott index) and by studying the unidirectional transport of the gapless edge states and its robustness in the presence of defects. Our specific model is a Penrose lattice of helical optical waveguides—a photonic Floquet quasicrystal; however, we expect this new topological quasicrystal phase to be universal.

  13. 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.

  14. Generation of optical crystals and quasicrystal beams: Kaleidoscopic patterns and phase singularity

    SciTech Connect

    Chen, Y. F.; Liang, H. C.; Lin, Y. C.; Tzeng, Y. S.; Su, K. W.; Huang, K. F.

    2011-05-15

    We explore the feasibility of the generation of pseudonondiffracting optical beams related to crystal and quasicrystal structures. It is experimentally confirmed that optical crystal and quasicrystal beams can be remarkably generated with a collimated light to illuminate a high-precision mask with multiple apertures regularly distributed on a ring. We also found that exotic kaleidoscopic patterns can be exhibited with the high-order quasicrystal beams. More importantly, the structures of phase singularities in optical quasicrystal beams are manifested.

  15. Dynamical Diffraction and X-Ray Standing Waves from Atomic Planes Normal to a Twofold Symmetry Axis of the Quasicrystal AlPdMn

    SciTech Connect

    Jach, T.; Zhang, Y.; Colella, R.; de Boissieu, M.; Boudard, M.; Goldman, A.I.; Lograsso, T.A.; Delaney, D.W.; Kycia, S.

    1999-04-01

    We have observed dynamical diffraction in the 0240{ovr 2}4 and 0460{ovr 4}6 reflections of the icosahedral quasicrystal AlPdMn in the back-reflection geometry ({theta}{sub B}=90{degree} ). The x-ray fluorescence from the Al and Pd atoms exhibits strong standing wave behavior, similar to that observed in crystalline materials. The data indicate a long-range order of each species of atoms, with the coherent positions attributable to distributions of the Al and Pd, which we compare to a centrosymmetric model. We observe deviations from the model which imply small departures from inversion symmetry along the twofold symmetry axis and from the expected coherent fractions for Al. {copyright} {ital 1999} {ital The American Physical Society}

  16. 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

  17. Nanotechnology and Quasicrystals: From Self-Assembly to Photonic Applications

    NASA Astrophysics Data System (ADS)

    Lifshitz, R.

    After providing a concise overview on quasicrystals and their discovery more than a quarter of a century ago, I consider the unexpected interplay between nano-technology and quasiperiodic crystals. Of particular relevance are efforts to fabricate artificial functional micro- or nanostructures, as well as efforts to control the self-assembly of nanostructures, where current knowledge about the possibility of having long-range order without periodicity can provide significant advantages. I discuss examples of systems ranging from artificial metamaterials for photonic applications, through self-assembled soft matter, to surface waves and optically-induced nonlinear photonic quasicrystals.

  18. Magnetic moments and non-Fermi-liquid behavior in quasicrystals

    NASA Astrophysics Data System (ADS)

    Andrade, Eric

    Motivated by the intrinsic non-Fermi-liquid behavior observed in the heavy-fermion quasicrystal Au51Al34Yb15, we study the low-temperature behavior of dilute magnetic impurities placed in metallic quasicrystals. We find that a large fraction of the magnetic moments are not quenched down to very low temperatures, leading to a power-law distribution of Kondo temperatures, accompanied by a non-Fermi-liquid behavior, in a remarkable similarity to the Kondo-disorder scenario found in disordered heavy-fermion metals. This work was supported by FAPESP (Brazil) Grant No. 2013/00681-8.

  19. Spin waves in one-dimensional bicomponent magnonic quasicrystals

    NASA Astrophysics Data System (ADS)

    Rychły, J.; Kłos, J. W.; Mruczkiewicz, M.; Krawczyk, M.

    2015-08-01

    We studied a finite Fibonacci sequence of Co and Py stripes aligned side by side and in direct contact with each other. Calculations based on a continuous model, including exchange and dipole interactions, were performed for structures feasible for fabrication and characterization of the main properties of magnonic quasicrystals. We have shown the fractal structure of the magnonic spectrum with a number of magnonic gaps of different widths. Moreover, localization of spin waves in quasicrystals and the existence of surface spin waves in finite quaiscrystal structure is demonstrated.

  20. 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

  1. 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.

  2. Periodic almost-Schrödinger equation for quasicrystals

    PubMed Central

    Blinov, Igor V.

    2015-01-01

    A new method for finding electronic structure and wavefunctions of electrons in quasiperiodic potential is introduced. To obtain results it uses slightly modified Schrödinger equation in spaces of dimensionality higher than physical space. It enables to get exact results for quasicrystals without expensive non-exact calculations. PMID:26205845

  3. Broadband linear and nonlinear optical response of plasmonic quasicrystals

    NASA Astrophysics Data System (ADS)

    Ravishankar, Ajith P.; Yallapragada, V. J.; Kasture, S.; Nagarajan, Arvind; Achanta, Venu Gopal

    2016-05-01

    Plasmonic quasicrystals with 5-fold rotation symmetry are shown to offer broadband transmission enhancement. The observed linear transmission enhancement leads to broadband second harmonic generation in a wide incident angle range contrary to unpatterned gold film. From the measured linear and harmonic transmitted powers, we estimate the 2nd order susceptibility values in the 760-840 nm range.

  4. Properties- and applications of quasicrystals and complex metallic alloys.

    PubMed

    Dubois, Jean-Marie

    2012-10-21

    This article aims at an account of what is known about the potential for applications of quasicrystals and related compounds, the so-called family of Complex Metallic Alloys (CMAs‡). Attention is focused at aluminium-based CMAs, which comprise a large number of crystalline compounds and quasicrystals made of aluminium alloyed with transition metals (like Fe or Cu) or normal metals like Mg. Depending on composition, the structural complexity varies from a few atoms per unit cell up to thousands of atoms. Quasicrystals appear then as CMAs of ultimate complexity and exhibit a lattice that shows no periodicity anymore in the usual 3-dimensional space. Properties change dramatically with lattice complexity and turn the metal-type behaviour of simple Al-based crystals into a far more complex behaviour, with a fingerprint of semi-conductors that may be exploited in various applications, potential or realised. An account of the ones known to the author is given in the light of the relevant properties, namely light absorption, reduced adhesion and friction, heat insulation, reinforcement of composites for mechanical devices, and few more exotic ones. The role played by the search for applications of quasicrystals in the development of the field is briefly addressed in the concluding section. PMID:22933085

  5. Stability of two-dimensional soft quasicrystals in systems with two length scales.

    PubMed

    Jiang, Kai; Tong, Jiajun; Zhang, Pingwen; Shi, An-Chang

    2015-10-01

    The relative stability of two-dimensional soft quasicrystals in systems with two length scales is examined using a recently developed projection method, which provides a unified numerical framework to compute the free energy of periodic crystal and quasicrystals. Accurate free energies of numerous ordered phases, including dodecagonal, decagonal, and octagonal quasicrystals, are obtained for a simple model, i.e., the Lifshitz-Petrich free-energy functional, of soft quasicrystals with two length scales. The availability of the free energy allows us to construct phase diagrams of the system, demonstrating that, for the Lifshitz-Petrich model, the dodecagonal and decagonal quasicrystals can become stable phases, whereas the octagonal quasicrystal stays as a metastable phase. PMID:26565220

  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. 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.

  8. Composition-driven spin glass to ferromagnetic transition in the quasicrystal approximant Au-Al-Gd

    NASA Astrophysics Data System (ADS)

    Ishikawa, A.; Hiroto, T.; Tokiwa, K.; Fujii, T.; Tamura, R.

    2016-01-01

    We investigated the composition dependence of the magnetic susceptibility of the quasicrystal approximant Au-Al-Gd. A composition-driven ferromagnetic transition is observed in a quasicrystal approximant, which is attributed to the Ruderman-Kittel-Kasuya-Yosida (RKKY) oscillation via a variation in the Fermi wave vector. The ferromagnetic transition is most simply understood as a result of the close matching of the nearest and second-nearest spin distances with the maximum positions of the RKKY potential. The present work provides an idea that allows us to tailor the magnetic order via the electron concentration in quasicrystal approximants as well as in quasicrystals.

  9. Green's functions of one-dimensional quasicrystal bi-material with piezoelectric effect

    NASA Astrophysics Data System (ADS)

    Zhang, Liangliang; Wu, Di; Xu, Wenshuai; Yang, Lianzhi; Ricoeur, Andreas; Wang, Zhibin; Gao, Yang

    2016-09-01

    Based on the Stroh formalism of one-dimensional quasicrystals with piezoelectric effect, the problems of an infinite plane composed of two different quasicrystal half-planes are taken into account. The solutions of the internal and interfacial Green's functions of quasicrystal bi-material are obtained. Moreover, numerical examples are analyzed for a quasicrystal bi-material subjected to line forces or line dislocations, showing the contour maps of the coupled fields. The impacts of changing material constants on the coupled field components are investigated.

  10. 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.

  11. New roles for icosahedral clusters in intermetallic phases: micelle-like segregation of Ca-Cd and Cu-Cd interactions in Ca10Cd27Cu2.

    PubMed

    Hadler, Amelia B; Harris, Nicholas A; Fredrickson, Daniel C

    2013-11-20

    Despite significant progress in the structural characterization of the quasicrystalline state, the chemical origins of long- and short-range icosahedral order remain mysterious and a subject of debate. In this Article, we present the crystal structure of a new complex intermetallic phase, Ca10Cd27Cu2 (mC234.24), whose geometrical features offer clues to the driving forces underlying the icosahedral clusters that occur in Bergman-type quasicrystals. Ca10Cd27Cu2 adopts a C-centered monoclinic superstructure of the 1/1 Bergman approximant structure, in which [110] layers of Bergman clusters in the 1/1 structure are separated through the insertion of additional atoms (accompanied by substantial positional disorder). An examination of the coordination environments of Ca and Cu (in the ordered regions) reveals that the structure can be viewed as a combination of coordination polyhedra present in the nearest binary phases in the Ca-Cd-Cu compositional space. A notable feature is the separation of Ca-Cd and Cu-Cd interactions, with Bergman clusters emerging as Ca-Cd Friauf polyhedra (derived from the MgZn2-type CaCd2 phase) encapsulate a Cu-Cd icosahedron similar to those appearing in Cu2Cd5. DFT chemical pressure calculations on nearby binary phases point to the importance of this segregation of Ca-Cd and Cu-Cd interactions. The mismatch in atomic size between Cu and Cd leads to an inability to satisfy Ca-Cu and Ca-Cd interactions simultaneously in the Friauf polyhedra of the nearby Laves phase CaCd2. The relegation of the Cu atoms to icosahedra prevents this frustration while nucleating the formation of Bergman clusters. PMID:24147875

  12. Distributed Hybridization Model for Quantum Critical Behavior in Magnetic Quasicrystals

    NASA Astrophysics Data System (ADS)

    Otsuki, Junya; Kusunose, Hiroaki

    2016-07-01

    A quantum critical behavior of the magnetic susceptibility was observed in a quasicrystal containing ytterbium. At the same time, a mixed-valence feature of Yb ions was reported, which appears to be incompatible with the magnetic instability. We derive the magnetic susceptibility by expressing the quasiperiodicity as the distributed hybridization strength between Yb 4f and conduction electrons. Assuming a wide distribution of the hybridization strength, the most f electrons behave as renormalized paramagnetic states in the Kondo or mixed-valence regime, but a small number of f moments remain unscreened. As a result, the bulk magnetic susceptibility exhibits a nontrivial power-law-like behavior, while the average f-electron occupation is that of mixed-valence systems. This model thus resolves two contradictory properties of Yb quasicrystals.

  13. Optical Mode Control by Geometric Phase in Quasicrystal Metasurface

    NASA Astrophysics Data System (ADS)

    Yulevich, Igor; Maguid, Elhanan; Shitrit, Nir; Veksler, Dekel; Kleiner, Vladimir; Hasman, Erez

    2015-11-01

    We report on the observation of optical spin-controlled modes from a quasicrystalline metasurface as a result of an aperiodic geometric phase induced by anisotropic subwavelength structure. When geometric phase defects are introduced in the aperiodic structured surface, the modes exhibit polarization helicity dependence resulting in the optical spin-Hall effect. The radiative thermal dispersion bands from a quasicrystal structure are studied where the observed bands arise from the optical spin-orbit interaction induced by the aperiodic space-variant orientations of anisotropic antennas. The optical spin-flip behavior of the revealed modes that arise from the geometric phase pickup is experimentally observed within the visible spectrum by measuring the spin-projected diffraction patterns. The introduced ability to manipulate the light-matter interaction of quasicrystals in a spin-dependent manner provides the route for molding light via spin-optical aperiodic artificial planar surfaces.

  14. Optical Mode Control by Geometric Phase in Quasicrystal Metasurface.

    PubMed

    Yulevich, Igor; Maguid, Elhanan; Shitrit, Nir; Veksler, Dekel; Kleiner, Vladimir; Hasman, Erez

    2015-11-13

    We report on the observation of optical spin-controlled modes from a quasicrystalline metasurface as a result of an aperiodic geometric phase induced by anisotropic subwavelength structure. When geometric phase defects are introduced in the aperiodic structured surface, the modes exhibit polarization helicity dependence resulting in the optical spin-Hall effect. The radiative thermal dispersion bands from a quasicrystal structure are studied where the observed bands arise from the optical spin-orbit interaction induced by the aperiodic space-variant orientations of anisotropic antennas. The optical spin-flip behavior of the revealed modes that arise from the geometric phase pickup is experimentally observed within the visible spectrum by measuring the spin-projected diffraction patterns. The introduced ability to manipulate the light-matter interaction of quasicrystals in a spin-dependent manner provides the route for molding light via spin-optical aperiodic artificial planar surfaces. PMID:26613450

  15. 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

  16. 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

  17. 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.

  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. 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.

  20. 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

  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. 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.

  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. A silicon photonic quasi-crystal structure obtained by interference lithography

    NASA Astrophysics Data System (ADS)

    Lis, S.; Zakrzewski, A.; Gryglewicz, J.; Oleszkiewicz, W.; Patela, S.

    2012-06-01

    Photonic quasi-crystal structures have been prepared and investigated. Symmetrical patterns were fabricated by interference lithography in negative tone photoresist and transferred to silicon by reactive ion etching. Theoretical influences of pattern detail (radius of hole) on the photonic band gap have been studied. Three types of 2D photonic quasi-crystals have been prepared: 8-fold, 10-fold and 12-fold pattern. Finally, finite-difference time-domain method was used for theoretically prediction of transmission spectrum for fabricated 12-fold quasi-crystal.

  6. Modeling liquid-liquid phase transitions and quasicrystal formation

    NASA Astrophysics Data System (ADS)

    Skibinsky, Anna

    In this thesis, studies which concern two different subjects related to phase transitions in fluids and crystalline solids are presented. Condensed matter formation, structure, and phase transitions are modeled using molecular dynamics simulations of simple discontinuous potentials with attractive and repulsive interactions. Novel phase diagrams are proposed for quasicrystals, crystals, and liquids. In the first part of the thesis, the formation of a quasicrystal in a two dimensional monodisperse system is investigated using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. It is found that for certain values of the square-well parameters more than one stable crystalline phase can form. By quenching the liquid phase at a very low temperature, an amorphous phase is obtained. When this the amorphous phase is heated, a quasicrystalline structure with five-fold symmetry forms. From estimations of the Helmholtz potentials of the stable crystalline phases and of the quasicrystal, it is concluded that within a specific temperature range, the observed quasicrystal phase can be the stable phase. The second part of the thesis concerns a study of the liquid-liquid phase transition for a single-component system in three dimensions, interacting via an isotropic potential with a repulsive soft-core shoulder at short distance and an attractive well at an intermediate distance. The potential is similar to potentials used to describe such liquid systems as colloids, protein solutions, or liquid metals. It is shown that the phase diagram for such a potential can have two lines of first-order fluid-fluid phase transitions: one separating a gas and a low-density liquid (LDL), and another between the LDL and a high-density liquid (HDL). Both phase transition lines end in a critical point, a gas-LDL critical point and, depending on the potential parameters, either a gas-HDL critical point or a LDL-HDL critical point. A

  7. Observation and Structure Determination of an Oxide Quasicrystal Approximant.

    PubMed

    Förster, S; Trautmann, M; Roy, S; Adeagbo, W A; Zollner, E M; Hammer, R; Schumann, F O; Meinel, K; Nayak, S K; Mohseni, K; Hergert, W; Meyerheim, H L; Widdra, W

    2016-08-26

    We report on the first observation of an approximant structure to the recently discovered two-dimensional oxide quasicrystal. Using scanning tunneling microscopy, low-energy electron diffraction, and surface x-ray diffraction in combination with ab initio calculations, the atomic structure and the bonding scheme are determined. The oxide approximant follows a 3^{2}.4.3.4 Archimedean tiling. Ti atoms reside at the corners of each tiling element and are threefold coordinated to oxygen atoms. Ba atoms separate the TiO_{3} clusters, leading to a fundamental edge length of the tiling 6.7 Å. PMID:27610863

  8. What periodicities can be found in diffraction patterns of quasicrystals?

    PubMed

    Wolny, Janusz; Kozakowski, Bartlomiej; Kuczera, Pawel; Pytlik, Lucjan; Strzalka, Radoslaw

    2014-03-01

    The structure of quasicrystals is aperiodic. Their diffraction patterns, however, can be considered periodic. They are composed solely of series of peaks which exhibit a fully periodic arrangement in reciprocal space. Furthermore, the peak intensities in each series define the so-called `envelope function'. A Fourier transform of the envelope function gives an average unit cell, whose definition is based on the statistical distribution of atomic coordinates in physical space. If such a distribution is lifted to higher-dimensional space, it becomes the so-called atomic surface - the most fundamental feature of higher-dimensional analysis. PMID:24572319

  9. Photonic quasi-crystal fiber with high birefringence

    NASA Astrophysics Data System (ADS)

    Liu, Hongfei; Xiao, Wei; Cai, Weicheng; Liu, Exian; Feng, Bo; Wang, Ziming; Liang, Taiyuan; Wang, Shuo; Liu, Jianjun

    2016-03-01

    A high-birefringence photonic quasi-crystal fiber (HB-PQF) based on SiO2 is proposed. The relationships between birefringence and structure parameters and between beat length and structure parameters are researched by finite difference beam propagation method. With the optimization of fiber structure parameters, the birefringence is 1.4207×10-2, which is two orders of magnitude higher than the normally used fiber when the wavelength is 1.55 μm. The radius of the fiber is 6.5 μm. The HB-PQF in a communication sensor will have important application prospects.

  10. 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.

  11. 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}.

  12. Self-similarity and self-inversion of quasicrystals

    NASA Astrophysics Data System (ADS)

    Madison, A. E.

    2014-08-01

    The discovery of quasicrystals played a revolutionary role in the condensed matter science and forced to renounce the dogma of the classical crystallography that the regular filling of the space by identical blocks is reduced solely to the Fedorov space groups. It is shown that aperiodic crystals, apart from the similarity, exhibit the self-inversion property. In a broadened sense, the self-inversion implies the possible composition of the inversion with translations, rotations, and homothety, whereas pure reflection by itself in a circle can be absent as an independent symmetry element. It is demonstrated that the symmetry of aperiodic tilings is described by Schottky groups (which belong to a particular type of Kleinian groups generated by the linear fractional Möbius transformations); in the theory of aperiodic crystals, the Schottky groups play the same role that the Fedorov groups play in the theory of crystal lattices. The local matching rules for the Penrose fractal tiling are derived, the problem of choice of the fundamental region of the group of motions of a quasicrystal is discussed, and the relation between the symmetry of aperiodic tilings and the symmetry of constructive fractals is analyzed.

  13. Vortex quasi-crystals in mesoscopic superconducting samples

    NASA Astrophysics Data System (ADS)

    Wang, Jing-Kun; Zhang, Wei; R, Sá de Melo C. A.

    2016-08-01

    There seems to be a one to one correspondence between the phases of atomic and molecular matter (AMOM) and vortex matter (VM) in superfluids and superconductors. Crystals, liquids, and glasses have been experimentally observed in both AMOM and VM. Here, we propose a vortex quasi-crystal state which can be stabilized due to boundary and surface energy effects for samples of special shapes and sizes. For finite sized pentagonal samples, it is proposed that a phase transition between a vortex crystal and a vortex quasi-crystal occurs as a function of magnetic field and temperature as the sample size is reduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 11274009, 11434011, and 111522436), the National Key Basic Research Program of China (Grant No. 2013CB922000), the Research Funds of Renmin University of China (Grant Nos. 10XNL016 and 16XNLQ03), and the Program of State Key Laboratory of Quantum Optics and Quantum Optics Devices (Grant No. KF201404).

  14. Lasing from organic quasicrystal fabricated by seven- and nine-beam interference.

    PubMed

    Luo, D; Li, Y; Xu, X W; Du, Q G

    2016-05-30

    We demonstrate mirrorless lasers based on all organic nanostructure fabricated by seven- and nine-beam interference using low contrast material, holographic polymer dispersed liquid crystals (H-PDLC). A finite-difference time-domain (FDTD) simulation is used to study the transmission of quasicrystal. The wavelengths of lasing peak are determined by both of local structure of quasicrystal that the pumping light experienced as well as the photoluminescence of laser dye doped. Features of mirrorless laser from quasicrystal based on H-PDLC include directional light source, low threshold, simple fabrication process, low cost and tunability. These properties make H-PDLC photonic quasicrystal promising for a new type of all organic miniature lasers. PMID:27410148

  15. Strongly localized modes in one-dimensional defect-free magnonic quasicrystals

    SciTech Connect

    Chen, C. H.; Qiu, R. Z.; Chang, C. H.; Hsueh, W. J.

    2014-08-15

    Signal storage in magnonic quasicrystals using a slow spin-wave mode, rather than the quasinormal mode of traditional periodic magnonic crystals, is proposed, which is analogous to the slow light mode in the field of optics. Compared to traditional materials, richer and more wavelength-selective sharp resonances are achieved using the quasicrystals with a fewer number of layers, because of the peculiar fractal transmission spectra of quasicrystals. The number of sharp resonance and the quality factor for the sharp resonances in the transmission spectra also increases as the generation order of the magnonic quasicrystal increases. This generic nature allows the storage of signals using spin wave, for a wide range of quasiperiodic systems.

  16. 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}

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. Friction Anisotropy: A unique and intrinsic property of decagonal quasicrystals

    SciTech Connect

    Mulleregan, Alice; Park, Jeong Young; Salmeron, Miquel; Ogetree, D.F.; Jenks, C.J.; Thiel, P.A.; Brenner, J.; Dubois, J.M.

    2008-06-25

    We show that friction anisotropy is an intrinsic property of the atomic structure of Al-Ni-Co decagonal quasicrystals and not only of clean and well-ordered surfaces that can be prepared in vacuum [J.Y. Park et al., Science (2005)]. Friction anisotropy is manifested both in nanometer size contacts obtained with sharp atomic force microscope (AFM) tips as well as in macroscopic contacts produced in pin-on-disc tribometers. We show that the friction anisotropy, which is not observed when an amorphous oxide film covers the surface, is recovered when the film is removed due to wear. Equally important is the loss of the friction anisotropy when the quasicrystalline order is destroyed due to cumulative wear. These results reveal the intimate connection between the mechanical properties of these materials and their peculiar atomic structure.

  3. Atomistic simulation of frictional anisotropy on quasicrystal approximant surfaces

    NASA Astrophysics Data System (ADS)

    Ye, Zhijiang; Martini, Ashlie; Thiel, Patricia; Lovelady, Heather H.; McLaughlin, Keith; Rabson, David A.

    2016-06-01

    J. Y. Park et al. [Science 309, 1354 (2005), 10.1126/science.1113239] have reported eight times greater atomic-scale friction in the periodic than in the quasiperiodic direction on the twofold face of a decagonal Al-Ni-Co quasicrystal. We present results of molecular-dynamics simulations intended to elucidate mechanisms behind this giant frictional anisotropy. Simulations of a bare atomic-force-microscope tip on several model substrates and under a variety of conditions failed to reproduce experimental results. On the other hand, including the experimental passivation of the tip with chains of hexadecane thiol, we reproduce qualitatively the experimental anisotropy in friction, finding evidence for entrainment of the organic chains in surface furrows parallel to the periodic direction.

  4. Renormalization, Thermodynamic Formalism and Quasi-Crystals in Subshifts

    NASA Astrophysics Data System (ADS)

    Bruin, Henk; Leplaideur, Renaud

    2013-07-01

    We examine the thermodynamic formalism for a class of renormalizable dynamical systems which in the symbolic space is generated by the Thue-Morse substitution, and in complex dynamics by the Feigenbaum-Coullet-Tresser map. The basic question addressed is whether fixed points V of a renormalization operator {{R}} acting on the space of potentials are such that the pressure function {β mapsto {P}(-β V)} exhibits phase transitions. This extends the work by Baraviera, Leplaideur and Lopes on the Manneville-Pomeau map, where such phase transitions were indeed detected. In this paper, however, the attractor of renormalization is a Cantor set (rather than a single fixed point), which admits various classes of fixed points of {{R}}, some of which do and some of which do not exhibit phase transitions. In particular, we show it is possible to reach, as a ground state, a quasi-crystal before temperature zero by freezing a dynamical system.

  5. Acid-base chemistry in the formation of Mackay-type icosahedral clusters: μ3-acidity analysis of Sc-rich phases of the Sc-Ir system.

    PubMed

    Guo, Yiming; Stacey, Timothy E; Fredrickson, Daniel C

    2014-05-19

    The crystal structures of intermetallic phases offer a wealth of geometrical features (helices, multishelled clusters, and host-guest motifs) whose formation has yet to be explained or predicted by chemical theory. A recently developed extension of the acid-base concept to metallic systems, the μ3-acidity model, provides an avenue for developing this understanding for intermetallics formed from transition metals. In this Article, we illustrate how this approach can be used to understand one of the most striking geometrical entities to emerge in intermetallic chemistry, the Mackay cluster of icosahedral quasicrystals. We present μ3-acidity analyses, based on DFT-calibrated Hückel calculations, for a series of Sc-Ir intermetallics: ScIr (CsCl-type), Sc2Ir (Ti2Ni-type), Sc11Ir4, and the Mackay cluster containing phases Sc57Ir13 and Sc44Ir7. We begin by illustrating that a μ3-acidity model correctly predicts that each of these phases is stable relative to disproportionation into their neighboring compounds when a common set of Hückel parameters and d-orbital occupancies is used. Next, we explain these results by developing a relationship between the distance distribution of homoatomic contacts within an atom's coordination sphere and the μ3-neutralization it experiences. For a given average homoatomic distance, the role of heteroatomic contacts is higher when the distribution of homoatomic contacts is narrower. This effect is key to the strength of the acid-base neutralization of the Sc-rich phases, where the Sc atoms find a scarcity of Ir atoms from which to obtain neutralization. Under these circumstances, Sc-Ir contacts should be maximized, whereas the number and distance variations of the Sc-Sc contacts should be minimized. These expectations are borne out by the observed crystal structures. In particular, the Mackay clusters of Sc57Ir13 and Sc44Ir7, in which a central Ir atom is icosahedrally coordinated by a pentagonal dodecahedral array of face-sharing Sc

  6. Classification of Voronoi and Delone tiles in quasicrystals: I. General method

    NASA Astrophysics Data System (ADS)

    Masáková, Z.; Patera, J.; Zich, J.

    2003-02-01

    A new general method is presented which allows one to find all distinct Voronoi and Delone tiles in any quasicrystal from a large family. This includes the tiles which may be present with arbitrarily low density >0. At all stages, the method requires only consideration of a (possibly large) finite number of cases. Our method is applicable, in principle, to quasicrystals in any dimension and with any irrationality. This is the first of three papers where the Voronoi and Delone tilings are studied. Two-dimensional point sets, 'quasicrystals', arising from the A4-root lattice by means of the standard projection to a two-dimensional plane with the irrationality tau = 1/2(1 + surd5), are considered. In general, we require that the acceptance window be bounded with non-empty interior. Specific results are provided here for rhombic acceptance windows of any size oriented along the direction of simple roots of the Coxeter group H2. Within one quasicrystal the tiles are distinguished by their shape, size and orientation. The rhombic window case is indispensable for subsequent classification of Voronoi and Delone tiles in quasicrystals with general shape of the acceptance window. Voronoi and Delone tiles of quasicrystals with circular and decagonal windows of any size are given in subsequent papers. Let VT denote the set of distinct Voronoi tiles making up a quasicrystal with a given acceptance window. There are three VT sets of the 'generic' type and three of the 'singular' type. The latter occur for one precise value of the size of the acceptance window. Any other VT set is a uniform scaling of the tiles listed here. Similar results, differing in detail, are provided for the sets of distinct Delone tiles DT. Altogether there are four different sets DT of Delone tiles.

  7. 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.

  8. 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.

  9. Superior room-temperature ductility of typically brittle quasicrystals at small sizes.

    PubMed

    Zou, Yu; Kuczera, Pawel; Sologubenko, Alla; Sumigawa, Takashi; Kitamura, Takayuki; Steurer, Walter; Spolenak, Ralph

    2016-01-01

    The discovery of quasicrystals three decades ago unveiled a class of matter that exhibits long-range order but lacks translational periodicity. Owing to their unique structures, quasicrystals possess many unusual properties. However, a well-known bottleneck that impedes their widespread application is their intrinsic brittleness: plastic deformation has been found to only be possible at high temperatures or under hydrostatic pressures, and their deformation mechanism at low temperatures is still unclear. Here, we report that typically brittle quasicrystals can exhibit remarkable ductility of over 50% strains and high strengths of ∼4.5 GPa at room temperature and sub-micrometer scales. In contrast to the generally accepted dominant deformation mechanism in quasicrystals-dislocation climb, our observation suggests that dislocation glide may govern plasticity under high-stress and low-temperature conditions. The ability to plastically deform quasicrystals at room temperature should lead to an improved understanding of their deformation mechanism and application in small-scale devices. PMID:27515779

  10. Thermal expansion of a Au-Al-Yb intermediate valence quasicrystal

    NASA Astrophysics Data System (ADS)

    Watanuki, T.; Kashimoto, S.; Ishimasa, T.; Machida, A.; Yamamoto, S.; Tanaka, Y.; Mizumaki, M.; Kawamura, N.; Watanabe, S.

    2015-06-01

    The thermal expansion of a Au-Al-Yb intermediate-valence quasicrystal has been studied. X-ray diffraction measurements showed zero thermal expansion below 50 K. By comparison with an isostructural Au-Al-Tm quasicrystal, the contribution of the Yb valence variation was extracted, and it was shown that its negative thermal expansion component compensated for the positive thermal expansion of the original lattice. On cooling, the Yb contribution grew steeply below approximately 155 K down to the lowest experimental temperature of 5 K, due to enlargement of the Yb atomic radius, which was caused by the valence shift toward the divalent state. Additionally, a larger Yb contribution to the thermal expansion was demonstrated in a crystalline approximant to this quasicrystal. The magnitude of this contribution was approximately 1.4 times larger than in the case of the quasicrystal itself, resulting in a slight negative thermal expansion below 50 K. A heterogeneous valence model for the quasicrystal that we proposed previously accounts for this magnitude difference.

  11. 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.

  12. 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

  13. Electronic Properties of Ordered Quasicrystals and Related Phases

    NASA Astrophysics Data System (ADS)

    Biggs, Byron Davis

    An extensive, systematic study of the electronic properties of the well-ordered icosahedral (i-) phases and related crystalline and amorphous phases is presented. Barely metallic behavior is observed in the ordered i-crystals, including high resistivities with large temperature coefficients, low electronic densities of states at the Fermi energy, large values of the low-temperature Hall coefficients, and unusual temperature dependences of the Hall coefficients and the thermoelectric powers. In addition, rapid variations of these properties with small changes in composition are observed. Similar behavior is seen in crystalline approximant structures, which are close crystalline analogues of the i-phase. With increasing structural disorder in disordered i-phases and in the totally disordered amorphous (a-) phases, the familiar metallic-glass-like electronic properties are restored. This striking electronic behavior is shown to be due to band structure effects. The high resistivities, low densities of states, and low carrier densities are shown to be due to the structural scattering mechanism of the Fermi-surface-Jones-zone interaction, which is enhanced due to the high degree of structural ordering and, in the i-phases, due to the icosahedral symmetry. The unusual temperature dependences of the Hall coefficients and thermoelectric powers, as well as the rapid variation of the electronic properties with small changes in composition, support the existence of a rapidly varying density of states on a fine energy scale, on the order of 26 meV. The existence of these band structure effects is further supported by the effects of structural disorder on the electronic properties, with disorder restoring the free-electron metallic-glass -like electronic properties. The temperature dependence of the conductivity at high temperatures displays novel concave upward curvature in a wide variety of icosahedral, amorphous, and crystalline phases which have high resistivity values

  14. Surface Tension and Viscosity of Quasicrystal-Forming Ti-Zr-Ni Alloys

    NASA Technical Reports Server (NTRS)

    Hyers, R. W.; Bradshaw, R. C.; Rogers, J. R.; Rathz, T. J.; Lee, G. W.; Kelton, K. F.; Gangopadhyay, A. K.

    2003-01-01

    The surface tension and viscosity of quasicrystal-forming Ti-Zr-Ni alloys were measured over a range of temperature, including both stable and undercooled liquids by an Electrostatic Levitation (ESL) technique. ESL is a containerless technique which allows processing of samples without contact, greatly reducing contamination and increasing access to the metastable undercooled liquid. The measured viscosity is typical of glass-forming alloys of similar composition to the quasicrystal-forming alloys studied here, while the surface tension shows an anomaly at deep undercoolings.

  15. TOPICAL REVIEW: The various modes of growth of metals on quasicrystals

    NASA Astrophysics Data System (ADS)

    Smerdon, J. A.

    2010-11-01

    Quasicrystals are fascinating intermetallic compounds composed of two or more elements. They differ from conventional crystals in that they possess long-range order, but no translational symmetry—that is, they are aperiodic. Much effort has been expended on identifying routes towards exploiting and exploring the properties of such systems due to their aperiodic nature. One such route is concerned with the deposition of thin films, particularly of metals, to investigate how their growth progresses in this inherently frustrated scenario. This topical review will examine the various epitaxial relationships observed in quasicrystal research with particular emphasis on single-element metallic films deposited under ultrahigh-vacuum conditions.

  16. Excitation of Bloch-like surface waves in quasi-crystals and aperiodic dielectric multilayers.

    PubMed

    Koju, Vijay; Robertson, William M

    2016-07-01

    The existence of Bloch surface waves in periodic dielectric multilayer structures with a surface defect is well known. Not yet recognized is that quasi-crystals and aperiodic dielectric multilayers can also support Bloch-like surface waves. In this work, we numerically show the excitation of Bloch-like surface waves in Fibonacci quasi-crystals and Thue-Morse aperiodic dielectric multilayers using the prism coupling method. We report improved surface electric field intensity and penetration depth of Bloch-like surface waves in the air side in such structures compared to their periodic counterparts. PMID:27367064

  17. 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

  18. Studies of Nucleation and Growth, Specific Heat and Viscosity of Undercooled Melts of Quasicrystals and Polytetrehedral-Phase-Forming Alloys

    NASA Technical Reports Server (NTRS)

    2003-01-01

    By investigating the properties of quasicrystals and quasicrystal-forming liquid alloys, we may determine the role of ordering of the liquid phase in the formation of quasicrystals, leading to a better fundamental understanding of both the quasicrystal and the liquid. A quasicrystal is solid characterized by a symmetric but non-periodic arrangement of atoms, usually in the form of an icosahedron (12 atoms, 20 triangular faces). It is theorized that the short-range order in liquids takes this same form. The degree of ordering depends on the temperature of the liquid, and affects many of the liquid s properties, including specific heat, viscosity, and electrical resistivity. The MSFC role in this project includes solidification studies, phase diagram determination, and thermophysical property measurements on the liquid quasicrystal-forming alloys, all by electrostatic levitation (ESL). The viscosity of liquid quasicrystal-forming alloys is measured by the oscillating drop method, both in the stable and undercooled liquid state. The specific heat of solid, undercooled liquid, and stable liquid are measured by the radiative cooling rate of the droplets.

  19. Soft spherical nanostructures with a dodecagonal quasicrystal-like order.

    PubMed

    Rochal, S B; Konevtsova, O V; Shevchenko, I A; Lorman, V L

    2016-01-28

    We develop a theory which predicts curvature-related structural peculiarities of soft spherical nanostructures with a dodecagonal local arrangement of subunits. Spherical templates coated with a thin film of a soft quasicrystal (QC)-forming material constitute the most promising direction to realize these nanostructures. Disordered and perfect spherical nanostructures are simulated using two approaches. The first of them models a random QC-like spherical nanostructure with extended curvature-induced topological defects similar to scars in colloidal spherical crystals. The second approach is inspired by the physics of viral capsids. It deals with the most regular spherical nanostructures with a local QC-like order derived from three well-known planar dodecagonal tilings. We explain how the additional QC-like degrees of freedom assist the nanostructure stabilization and determine the point defect number and location without extended scar formation. Unusual for nanoassemblies snub cube geometry is shown to be the most energetically favorable global organization of these spherical QC nanostructures. PMID:26592422

  20. Dodecagonal Quasicrystal Phase in a Diblock Copolymer Melt

    NASA Astrophysics Data System (ADS)

    Bates, Frank; Gillard, Timothy; Lee, Sangwoo

    Recent experiments with low molecular weight asymmetric poly(isoprene- b-lactide) (PI-PLA) diblock copolymers have established an equilibrium Frank-Kasper σ-phase at compositions between 18 and 22 percent by volume PLA, which transforms to a BCC phase followed by disordering with increasing temperature. This presentation will describe synchrotron small-angle x-ray scattering and dynamic mechanical spectroscopy experiments conducted following rapid temperature quenches from the disordered state to temperatures associated with the σ-phase. We document the development of a long-lived dodecagonal quasicrystalline (DQC) phase that transforms with time into the associated quasicrystal approximate σ-phase at a rate that is highly temperature dependent. Remarkably, the DQC does not form from either the σ-phase or BCC state. These finding will be discussed in the context of an apparent spontaneous structural transition that occurs when the disordered melt is supercooled below a threshold temperature coincident with the BCC to σ-phase order-order transition temperature. Support provided by the National Science Foundation (1104368).

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. Study of the structure and physical properties of quasicrystals using large scale facilities

    NASA Astrophysics Data System (ADS)

    de Boissieu, Marc

    2012-04-01

    Quasicrystals have been puzzling scientists since their discovery. In this article we review some of the recent advances in this field and show how the use of large scale facilities has brought in decisive information for the understanding of their structure and physical properties.

  7. Superior room-temperature ductility of typically brittle quasicrystals at small sizes

    PubMed Central

    Zou, Yu; Kuczera, Pawel; Sologubenko, Alla; Sumigawa, Takashi; Kitamura, Takayuki; Steurer, Walter; Spolenak, Ralph

    2016-01-01

    The discovery of quasicrystals three decades ago unveiled a class of matter that exhibits long-range order but lacks translational periodicity. Owing to their unique structures, quasicrystals possess many unusual properties. However, a well-known bottleneck that impedes their widespread application is their intrinsic brittleness: plastic deformation has been found to only be possible at high temperatures or under hydrostatic pressures, and their deformation mechanism at low temperatures is still unclear. Here, we report that typically brittle quasicrystals can exhibit remarkable ductility of over 50% strains and high strengths of ∼4.5 GPa at room temperature and sub-micrometer scales. In contrast to the generally accepted dominant deformation mechanism in quasicrystals—dislocation climb, our observation suggests that dislocation glide may govern plasticity under high-stress and low-temperature conditions. The ability to plastically deform quasicrystals at room temperature should lead to an improved understanding of their deformation mechanism and application in small-scale devices. PMID:27515779

  8. Interactions among K+-Ca2+ Exchange, Sorption of m-Dinitrobenzene, and Smectite Quasicrystal Dynamics

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The fate of organic compounds in soils and sediments is influenced by sorption of the compounds on surfaces of soil materials. We investigated the interaction among sorption of an organic compound, cation exchange reactions, and both the size and swelling of smectite quasicrystals. Two reference sme...

  9. 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

  10. 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...

  11. 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.

  12. 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

  13. 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.

  14. Harmonic response of multilayered one-dimensional quasicrystal plates subjected to patch loading

    NASA Astrophysics Data System (ADS)

    Waksmanski, Natalie; Pan, Ernian; Yang, Lian-Zhi; Gao, Yang

    2016-08-01

    Dynamic analyses of a multilayered one-dimensional quasicrystal plate subjected to a patch harmonic loading with simply supported lateral boundary conditions are presented. The pseudo-Stroh formulation and propagator matrix method are used to obtain the exact three-dimensional response of the plate. In order to avoid resonance, the frequency of the patch loading is chosen away from the natural frequencies by introducing a small imaginary part. The patch loading is expressed in the form of a double Fourier series expansion. Comprehensive numerical results are shown for a sandwich plate with two different stacking sequences. The results reveal the influence of layering, loading area, phonon-phason coupling coefficient and input frequency. This work is the first step towards understanding quasicrystals under intricate loading conditions such as indentation and impact, and the exact closed-form solution can serve as a reference in convergence studies of other numerical methods and for verification of existing or future plate theories.

  15. Non-Fermi-Liquid Behavior in Metallic Quasicrystals with Local Magnetic Moments

    NASA Astrophysics Data System (ADS)

    Andrade, Eric C.; Jagannathan, Anuradha; Miranda, Eduardo; Vojta, Matthias; Dobrosavljević, Vladimir

    2015-07-01

    Motivated by the intrinsic non-Fermi-liquid behavior observed in the heavy-fermion quasicrystal Au51Al34Yb15 , we study the low-temperature behavior of dilute magnetic impurities placed in metallic quasicrystals. We find that a large fraction of the magnetic moments are not quenched down to very low temperatures T , leading to a power-law distribution of Kondo temperatures P (TK)˜TKα -1, with a nonuniversal exponent α , in a remarkable similarity to the Kondo-disorder scenario found in disordered heavy-fermion metals. For α <1 , the resulting singular P (TK) induces non-Fermi-liquid behavior with diverging thermodynamic responses as T →0 .

  16. A simple configuration for fabrication of 2D and 3D photonic quasicrystals with complex structures

    NASA Astrophysics Data System (ADS)

    Sun, XiaoHong; Wang, Shuai; Liu, Wei; Jiang, LiuDi

    2016-06-01

    A simple method using a single-prism common-path interferometer is presented for the fabrication of complex quasicrystals in sub-micrometer scales. Multiple types of two-dimensional (2D) and three-dimensional (3D) quasicrystalline structures are designed and their diffraction patterns are obtained by using Fourier Transform method. Multi-fold rotational symmetries are demonstrated and compared. By using this method, a wide range of quasicrystals types can be produced with arbitrary complexities and rotational symmetries. The transmittance studies of 12-fold and 18-fold structures also reveal the existence of complete photonic bandgaps, which also demonstrates increased symmetry and significantly improved characteristics of photonic band-gaps.

  17. Non-Fermi-Liquid Behavior in Metallic Quasicrystals with Local Magnetic Moments.

    PubMed

    Andrade, Eric C; Jagannathan, Anuradha; Miranda, Eduardo; Vojta, Matthias; Dobrosavljević, Vladimir

    2015-07-17

    Motivated by the intrinsic non-Fermi-liquid behavior observed in the heavy-fermion quasicrystal Au51Al34Yb15, we study the low-temperature behavior of dilute magnetic impurities placed in metallic quasicrystals. We find that a large fraction of the magnetic moments are not quenched down to very low temperatures T, leading to a power-law distribution of Kondo temperatures P(T(K))∼T(K)(α-1), with a nonuniversal exponent α, in a remarkable similarity to the Kondo-disorder scenario found in disordered heavy-fermion metals. For α<1, the resulting singular P(T(K)) induces non-Fermi-liquid behavior with diverging thermodynamic responses as T→0. PMID:26230810

  18. Icosahedral stereographic projections in three dimensions for use in dark field TEM.

    PubMed

    Bourdillon, Antony J

    2013-08-01

    Thermodynamics require that rapidly cooled crystals and quasicrystals are relatively defective. Yet, without convenient 3-dimensional indexation both at crystal poles and in diffraction planes, or Kikuchi maps, it is difficult to identify the defects by dark field transmission electron microscopy. For two phase Al6Mn, these maps are derived. They relate i-Al6Mn to the standard face centered cubic, matrix crystals. An example of their usefulness in determining interfacial characteristics is described. Indices are integral powers on an irrational number. PMID:23850135

  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. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. Photonic band gaps and planar cavity of two-dimensional eightfold symmetric void-channel photonic quasicrystals

    NASA Astrophysics Data System (ADS)

    Zhou, Guangyong; Gu, Min

    2007-05-01

    By using the femtosecond laser induced microexplosion method, high-quality two-dimensional eightfold photonic quasicrystals have been fabricated in a solid transparent polymer material. Multiorder band gaps have been observed in a 25-layer structure with a suppression rate of up to 72% for the fundamental gap. Polarization measurements show that the photonic quasicrystal has a strong anisotropic effect, showing that the transverse electric is the favorite polarization. Fabry-Pérot cavities have been fabricated by removing the central layer of channels. Based on the cavity mode position, the order of the mode and the effective cavity size have been determined.

  6. 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.

  7. Direct imaging of coexisting ordered and frustrated sublattices in artificial ferromagnetic quasicrystals

    NASA Astrophysics Data System (ADS)

    Farmer, B.; Bhat, V. S.; Balk, A.; Teipel, E.; Smith, N.; Unguris, J.; Keavney, D. J.; Hastings, J. T.; De Long, L. E.

    2016-04-01

    We have used scanning electron microscopy with polarization analysis and photoemission electron microscopy to image the two-dimensional magnetization of permalloy films patterned into Penrose P2 tilings (P2T). The interplay of exchange interactions in asymmetrically coordinated vertices and short-range dipole interactions among connected film segments stabilize magnetically ordered, spatially distinct sublattices that coexist with frustrated sublattices at room temperature. Numerical simulations that include long-range dipole interactions between sublattices agree with images of as-grown P2T samples and predict a magnetically ordered ground state for a two-dimensional quasicrystal lattice of classical Ising spins.

  8. Fundamental solutions in a half space of two-dimensional hexagonal quasicrystal and their applications

    SciTech Connect

    Wang, T.; Li, X. Y.; Zhang, X.; Müller, R.

    2015-04-21

    Fundamental phonon-phason field in a half-infinite space of two-dimensional hexagonal quasicrystal is derived, on the basis of general solutions in terms of quasi-harmonic functions, by virtue of the trial-and-error technique. Extended Boussinesq and Cerruti problems are studied. Appropriate potential functions are assumed and corresponding fundamental solutions are explicitly derived in terms of elementary functions. The boundary integral equations governing the contact and crack problems are constructed from the present fundament solutions. The obtained analytical solutions can serve as guidelines for future indentation tests via scanning probe microscopy and atomic force microscopy methods.

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. First observation of ferromagnetic order in an artificial 2D quasicrystal

    NASA Astrophysics Data System (ADS)

    Farmer, Barry; Bhat, Vinayak; Balk, Andrew; Unguris, John; de Long, Lance

    2015-03-01

    Magnetic order in bulk quasicrystals is not well understood and known materials exhibit short-range, spin-glass order. We patterned ferromagnetic (FM) thin films into artificial quasicrystals, a new class of metamaterials that exhibits complex magnetic reversal and dynamics that can be controlled via tiling design. We analyzed two-dimensional SEMPA images of magnetization textures of Penrose P2 tilings (P2T) patterned into Permalloy. The diverse, asymmetric vertex coordinations drive novel, non-stochastic switching and complex spin-ice behaviors that reflect the influence of vertex domain wall energies. Monte Carlo and OOMMF simulation analyses of SEMPA images of slowly grown, never-field-cycled P2T reveal low energy, long-range ordered sublattices that form building blocks of a ground state. A fully ordered ground state is unresolved without long-range dipolar interactions that stabilize a magnetically ordered state with a net moment. Our P2T constitute a set of quasicrystalline metamaterials in which frustration and magnetic order among classical Ising spins can be directly studied. Kentucky research supported by U.S. DoE Grant DE-FG02-97ER45653 and NSF Grant EPS-0814194. ALB acknowledges support under the Cooperative Research Agreement between the University of Maryland and NIST.

  16. Origin of Quantum Criticality in Yb-Al-Au Approximant Crystal and Quasicrystal

    NASA Astrophysics Data System (ADS)

    Watanabe, Shinji; Miyake, Kazumasa

    2016-06-01

    To get insight into the mechanism of emergence of unconventional quantum criticality observed in quasicrystal Yb15Al34Au51, the approximant crystal Yb14Al35Au51 is analyzed theoretically. By constructing a minimal model for the approximant crystal, the heavy quasiparticle band is shown to emerge near the Fermi level because of strong correlation of 4f electrons at Yb. We find that charge-transfer mode between 4f electron at Yb on the 3rd shell and 3p electron at Al on the 4th shell in Tsai-type cluster is considerably enhanced with almost flat momentum dependence. The mode-coupling theory shows that magnetic as well as valence susceptibility exhibits χ ˜ T-0.5 for zero-field limit and is expressed as a single scaling function of the ratio of temperature to magnetic field T/B over four decades even in the approximant crystal when some condition is satisfied by varying parameters, e.g., by applying pressure. The key origin is clarified to be due to strong locality of the critical Yb-valence fluctuation and small Brillouin zone reflecting the large unit cell, giving rise to the extremely-small characteristic energy scale. This also gives a natural explanation for the quantum criticality in the quasicrystal corresponding to the infinite limit of the unit-cell size.

  17. David Adler Lectureship Award in the Field of Materials Physics Talk: Surfaces of Quasicrystals

    NASA Astrophysics Data System (ADS)

    Thiel, Patricia

    2010-03-01

    Quasiperiodic order is recognized (in a utilitarian, rather than a mathematical sense) by the absence of periodicity, concurrent with a classically-forbidden rotational symmetry. It is quite beautiful, having captured the attention of scientists and artists alike. Following the discovery of quasiperiodic order in a real system,footnotetextD. Shechtman, I. Blech, D. Gratias, and J.W. Cahn, Phys. Rev. Lett. 53, 1951 (1984). many metallic alloys and intermetallics were found to exhibit this type of order on the atomic scale. More recently ``soft'' quasicrystals were discovered,footnotetextL. Bindi, P.J. Steinhardt, N. Yao, and P.J. Lu, Science 324, 1306 (2009). and nanocrystalline arrays were found to spontaneously adopt quasiperiodic order.footnotetextD.V. Talapin, E.V. Shevchenko, M.I. Bodnarchuk, X. Ye, J. Chen, and C.B. Murray, Nature 461 , 964 (2009). From a scientific perspective, quasicrystals are alluring because they allow us to test the relationship between atomic structure and physical properties. This talk deals with the ways in which our understanding of solid surfaces has been both enriched and challenged by these complex materials.footnotetextP. Thiel, Annu. Rev. Phys. Chem. (2008).^,footnotetextV. Fourn'ee, J. Ledieu, and P. Thiel, J. Phys: Condens. Matter. 20, 3310301 (2008). properties of the metallic quasicrystals originally generated interest because they were unusual.footnotetextJ.M. Dubois, Useful Quasicrystals(World Scientific, Singapore, 2005). For instance, among Al-rich alloys, the Al-based quasicrystalline phases exhibit puzzling resistance to surface oxidation. Also, Al-rich quasicrystals have surprisingly good and promising catalytic properties (e.g. for steam reforming of methanol).footnotetextA.P. Tsai and M. Yoshimura, Appl. Cat. A: General 214 , 237 (2001). Perhaps most famously, they exhibit low friction.^7 Comparisons with crystalline materials have established that these features are deeply related to the quasiperiodic atomic

  18. 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.

  19. Molecular dynamics simulation of radiation damage in CaCd{sub 6} quasicrystal cubic approximant up to 10 keV

    SciTech Connect

    Chen, P. H.; Avchachov, K.; Nordlund, K.; Pussi, K.

    2013-06-21

    Due to the peculiar nature of the atomic order in quasicrystals, examining phase transitions in this class of materials is of particular interest. Energetic particle irradiation can provide a way to modify the structure locally in a quasicrystal. To examine irradiation-induced phase transitions in quasicrystals on the atomic scale, we have carried out molecular dynamics simulations of collision cascades in CaCd{sub 6} quasicrystal cubic approximant with energies up to 10 keV at 0 and 300 K. The results show that the threshold energies depend surprisingly strongly on the local coordination environments. The energy dependence of stable defect formation exhibits a power-law dependence on cascade energy, and surviving defects are dominated by Cd interstitials and vacancies. Only a modest effect of temperature is observed on defect survival, while irradiation temperature increases lead to a slight increase in the average size of both vacancy clusters and interstitial clusters.

  20. 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.

  1. 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.

  2. 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

  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. 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

  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. 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

  8. 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

  9. 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.

  10. 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

  11. 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.

  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. 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.

  15. 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

  16. 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

  17. 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.

  18. 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

  19. Magnetism in the i- R-Cd (R = Y, Gd-Tm) binary quasicrystals

    NASA Astrophysics Data System (ADS)

    Goldman, Alan; Kong, Tai; Kreyssig, Andreas; Yamada, Tsunetomo; Takakura, Hiroyuki; Bud'Ko, Sergey; Das, Pinaki; Jayasekara, Wageesha; Canfield, Paul; de Boissieu, Marc

    Progress in our understanding of the consequences of aperiodicity for physical phenomena such as the electronic, magnetic, and optical properties has recently seen a surge of activity and new results. A new family of i- R-Cd binary magnetic quasicrystals, exhibiting spin-glass-like behavior, and the closely related RCd6 crystalline approximants , which manifest long-range magnetic order at low temperature, offer new opportunities for studies of the impact of aperiodicity on magnetic interactions in compounds that have similar local structures. I will discuss their magnetic behavior, as well as recent x-ray diffraction and elastic magnetic neutron scattering investigations that provide some insight into their structural and magnetic properties. The research was supported by the Office of the Basic Energy Sciences, Materials Sciences Division, US Department of Energy (DOE).

  20. A parametric study of the lensing properties of dodecagonal photonic quasicrystals

    NASA Astrophysics Data System (ADS)

    Di Gennaro, E.; Morello, D.; Miletto, C.; Savo, S.; Andreone, A.; Castaldi, G.; Galdi, V.; Pierro, V.

    2008-04-01

    We present a study of the lensing properties of two-dimensional (2-D) photonic quasicrystal (PQC) slabs made of dielectric cylinders arranged according to a 12-fold-symmetric square-triangle aperiodic tiling. Our full-wave numerical analysis confirms the results recently emerged in the technical literature and, in particular, the possibility of achieving focusing effects within several frequency regions. However, contrary to the original interpretation, such focusing effects turn out to be critically associated to local symmetry points in the PQC slab, and strongly dependent on its thickness and termination. Nevertheless, our study reveals the presence of some peculiar properties, like the ability to focus the light even for slabs with a reduced lateral width, or beaming effects, which render PQC slabs potentially interesting and worth of deeper investigation.

  1. Self-generation of dissipative solitons in magnonic quasicrystal active ring resonator

    SciTech Connect

    Grishin, S. V. Beginin, E. N.; Morozova, M. A.; Sharaevskii, Yu. P.; Nikitov, S. A.

    2014-02-07

    Self-generation of dissipative solitons in the magnonic quasicrystal (MQC) active ring resonator is studied theoretically and experimentally. The developed magnonic crystal has quasiperiodic Fibonacci type structure. Frequency selectivity of the MQC together with the parametric three-wave decay of magnetostatic surface spin wave (MSSW) leads to the dissipative soliton self-generation. The transfer matrix method is used to describe MQC transmission responses. Besides, the model of MQC active ring resonator is suggested. The model includes three coupled differential equations describing the parametric decay of MSSW and two differential equations of linear oscillators describing the frequency selectivity of MQC. Numerical simulation results of dissipative soliton self-generation are in a fair agreement with experimental data.

  2. Complex antiferromagnetic order in the Cd6 R approximants to the i- R-Cd quasicrystals

    NASA Astrophysics Data System (ADS)

    Kreyssig, A.; Beutier, G.; Hoffmann, J.-U.; Kong, T.; Kim, M. G.; Tucker, G. S.; Ueland, B. G.; Hiroto, T.; Liu, D.; Yamada, T.; Boissieu, M. De; Tamura, R.; Bud'Ko, S. L.; Canfield, P. C.; Goldman, A. I.

    2014-03-01

    The observation of antiferromagnetic order in the Cd6 R (R = rare earths) approximants to the recently discovered related i- R-Cd quasicrystals provides new and exciting opportunities to unravel the nature of magnetism in these materials. We present single-crystal studies employing x-ray and neutron scattering that revealed complex antiferromagnetism in the Cd6 R approximants. Resolution-limited magnetic Bragg peaks have been observed at lattice points forbidden by the center-symmetry and at incommensurate positions demonstrating long-range antiferromagnetic correlations between the R moments. The work at the Ames Laboratory was supported by US DOE, Office of Basic Energy Sciences, DMSE, contract DE-AC02-07CH11358. Work at the Tokyo University of Science was supported by KAKENHI (Grant No. 20045017).

  3. Structure of Periodic Crystals and Quasicrystals in Ultrathin Films of Ba-Ti-O

    PubMed Central

    Cockayne, Eric; Mihalkovič, Marek; Henley, Christopher L.

    2016-01-01

    We model the remarkable thin-film Ba-Ti-O structures formed by heat treatment of an initial perovskite BaTiO3 thin film on a Pt(111) surface. All structures contain a rumpled Ti-O network with all Ti threefold coordinated with O, and with Ba occupying the larger. mainly Ti7O7, pores. The quasicrystal structue is a simple decoration of three types of tiles: square, triangle and 30° rhombus, with edge lengths 6.85 Å, joined edge-to-edge in a quasicrystalline pattern; observed periodic crystals in ultrathin film Ba-Ti-O are built from these and other tiles. Simulated STM images reproduce the patterns seen experimentally, and identify the bright protrusions as Ba atoms. The models are consistent with all experimental observations. PMID:26998528

  4. Simultaneous large band gaps and localization of electromagnetic and elastic waves in defect-free quasicrystals.

    PubMed

    Yu, Tianbao; Wang, Zhong; Liu, Wenxing; Wang, Tongbiao; Liu, Nianhua; Liao, Qinghua

    2016-04-18

    We report numerically large and complete photonic and phononic band gaps that simultaneously exist in eight-fold phoxonic quasicrystals (PhXQCs). PhXQCs can possess simultaneous photonic and phononic band gaps over a wide range of geometric parameters. Abundant localized modes can be achieved in defect-free PhXQCs for all photonic and phononic polarizations. These defect-free localized modes exhibit multiform spatial distributions and can confine simultaneously electromagnetic and elastic waves in a large area, thereby providing rich selectivity and enlarging the interaction space of optical and elastic waves. The simulated results based on finite element method show that quasiperiodic structures formed of both solid rods in air and holes in solid materials can simultaneously confine and tailor electromagnetic and elastic waves; these structures showed advantages over the periodic counterparts. PMID:27137236

  5. Thermoelectric properties of (α-, δ-, ζ-) Ti-Ru-B approximants for the decagonal quasicrystal

    NASA Astrophysics Data System (ADS)

    Takagiwa, Y.; Miyazaki, Y.; Yoshida, T.; Yanagihara, D.; Ueda, S.; Kitahara, K.; Kimura, K.

    2015-09-01

    The electronic structure and the thermoelectric properties of (α-, δ-, ζ-) Ti-Ru-B approximants related to its decagonal quasicrystal phase were investigated. The band structure calculation reveals that they form pseudogaps in the electronic density of states across the Fermi level. The samples were synthesized by arc-melting, followed by spark plasma sintering. The electrical conductivity at 373 K varies from 1600 to 4200 Ω-1 cm-1 and their temperature coefficients are negative. All measured compounds show n-type properties, judging from the sign of the Seebeck coefficient; however, the magnitudes are rather low of less than 25 μV K-1. The phonon thermal conductivity at 373 K have a range 3-5 W m-1 K-1 resulting from complex crystal structures with large unit cell volumes. The maximum dimensionless figure-of-merit of 0.008 is evaluated at 773 K for δ-Ti-Ru-B.

  6. Long-range magnetic order in models for rare-earth quasicrystals

    NASA Astrophysics Data System (ADS)

    Thiem, Stefanie; Chalker, J. T.

    2015-12-01

    We take a two-step theoretical approach to study magnetism of rare-earth quasicrystals by considering Ising spins on quasiperiodic tilings, coupled via Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions. First, we compute RKKY interactions from a tight-binding Hamiltonian defined on the two-dimensional quasiperiodic tilings. We find that the magnetic interactions are frustrated and strongly dependent on the local environment. This results in the formation of clusters with strong bonds at certain patterns of the tilings that repeat quasiperiodically. Second, we examine the statistical mechanics of Ising spins with these RKKY interactions, using extensive Monte Carlo simulations. Although models that have frustrated interactions and lack translational invariance might be expected to display spin-glass behavior, we show that the spin system has a phase transition to low-temperature states with long-range quasiperiodic magnetic order. Additionally, we find that in some of the systems spin clusters can fluctuate much below the ordering temperature.

  7. Evidence from x-ray and neutron powder diffraction patterns that the so-called icosahedral and decagonal quasicrystals of MnAl/sub 6/ and other alloys are twinned cubic crystals

    SciTech Connect

    Pauling, L.

    1987-06-01

    It is shown that the x-ray powder diffraction patterns of rapidly quenched MnAl/sub 6/ and Mg/sub 32/(Al,Zn)/sub 49/ and the neutron powder diffraction pattern of MnAl/sub 5/ are compatible with the proposed 820-atom primitive cubic structure. The values found for the edge of the unit cube are 23.365 A (x-ray) and 23.416 A (neutron) for MnAl/sub 6/ and 24.313 A (x-ray) for Mg/sub 32/(Al,Zn)/sub 49/.

  8. Shock waves in complex binary solids: Cubic Laves crystals, quasicrystals, and amorphous solids

    NASA Astrophysics Data System (ADS)

    Roth, Johannes

    2005-02-01

    Shock waves have been simulated by molecular dynamics in the cubic Laves phase C15, in related Frank-Kasper-type (AlCu)Li quasicrystals, and in an amorphous solid of the same composition and potential parameters. The goal of this study was to generate shock waves in periodic and aperiodic structures and to compare their behavior. The expectation was that new types of defects would show up in aperiodic materials. Three regimes are observed in the Laves phase: at low shock wave intensity the system reacts elastically, at high intensities it turns disordered. In the intermediate region the velocity of the elastic wave saturates and an additional plastic wave appears. Extended defects are created which form a network of walls of finite width. The crystallites in between are rotated by the shock wave. If the samples are quenched a polycrystalline phase is obtained. The size of the grains decreases with increasing shock wave intensity until complete fragmentation occurs in the third regime. The behavior of the quasicrystal models is similar, except that there is a continuous transition from a quasielastic behavior to the plastic regime. Ring processes are observed which break up into open paths when the shock wave energy grows. The transition to a complete destruction of the structure is continuous. In the amorphous solid a linear us-up relation is found over the whole range of piston velocities. Two regimes are present, with unsteady plastic waves at weak shock strengths and steady waves in the range coinciding with the upper regime in the ordered structures.

  9. Quasilattice-conserved molecular dynamics study of the atomic structure of decagonal Al-Co-Ni quasicrystals

    NASA Astrophysics Data System (ADS)

    Zhao, Yu-Jun; Li, Xiaotian; Advisor-student Collaboration

    2015-03-01

    The detailed atomic structure of quasicrystals has been an open question for decades. In this paper, we present a quasilattice-conserved molecular dynamics method (quasiMD), with particular quasiperiodic boundary conditions. As the atomic coordinates are described by basic cells and quasilattices, we are able to maintain the self-similarity characteristics of qusicrystals with the atomic structure of the boundary region updated timely following the relaxing region. Exemplified with the study of decagonal Al-Co-Ni (d-Al-Co-Ni), we propose a more stable atomic structure model based on Penrose quasilattice and our quasiMD simulations. In particular, ``rectangle-triangle'' rules are suggested for the local atomic structures of d-Al-Co-Ni quasicrystals.

  10. Electronic densities of states close to the surface of quasicrystals in relation with their low adhesion properties

    NASA Astrophysics Data System (ADS)

    Belin-Ferre, Esther; Dubois, Vincent

    1997-03-01

    Quasicrystalline alloys exhibit low adhesion properties in comparison to normal metals and even to purpose designed polymers like PTFEs. The physical origin of this effect is still a matter of research but is presumably related on the one hand to a substantial resistance to oxidation that prevents the formation of a thick alumina film at the surface (since oxides have a large surface energy, wetting is easy and therefore adhesion to organic matters is important on aluminium-based alloys). On the other hand, the density of states (DOS) at the Fermi level is dramatically reduced in quasicrystals. Our experiments show that this reduction extends towards the top atomic layers and therefore the low DOSs goes up to the surface. This effect cancels any gradient of the DOS from the surface down to the bulk and contributes significantly to the low surface energy of quasicrystals. Experimental evidence will be reported to support this view. by emailing it to the address below: