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15
Encoding fullerenes and geodesic domes
- SIAM. J. Discrete Math
, 2004
"... Abstract. Coxeter’s classification of the highly symmetric geodesic domes (and, by duality, the highly symmetric fullerenes) is extended to a classification scheme for all geodesic domes and fullerenes. Each geodesic dome is characterized by its signature: a plane graph on twelve vertices with label ..."
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Abstract. Coxeter’s classification of the highly symmetric geodesic domes (and, by duality, the highly symmetric fullerenes) is extended to a classification scheme for all geodesic domes and fullerenes. Each geodesic dome is characterized by its signature: a plane graph on twelve vertices with labeled angles and edges. In the case of the Coxeter geodesic domes, the plane graph is the icosahedron, all angles are labeled one, and all edges are labeled by the same pair of integers (p, q). Edges with these “Coxeter coordinates ” correspond to straight line segments joining two vertices of Λ, the regular triangular tessellation of the plane, and the faces of the icosahedron are filled in with equilateral triangles from Λ whose sides have coordinates (p, q). We describe the construction of the signature for any geodesic dome. In turn, we describe how each geodesic dome may be reconstructed from its signature: the angle and edge labels around each face of the signature identify that face with a polygonal region of Λ and, when the faces are filled by the corresponding regions, the geodesic dome is reconstituted. The signature of a fullerene is the signature of its dual. For each fullerene, the separation of its pentagons, the numbers of its vertices, faces, and edges, and its symmetry structure are easily computed directly from its signature. Also, it is easy to identify nanotubes by their signatures.
Fullerenes as tilings of surfaces
- J. Chem. Inf. Comput. Sci
"... If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Kl ..."
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Cited by 4 (1 self)
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If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Klein-bottle fullerenes, none. Klein-bottle and elliptic fullerenes are the antipodal quotients of centrosymmetric toroidal and spherical fullerenes, respectively. Extensions to infinite systems (plane fullerenes, cylindrical fullerenes, and space fullerenes) are indicated. Eigenvalue spectra of all four classes of finite fullerenes, are reviewed. Leapfrog fullerenes have equal numbers of positive and negative eigenvalues, with 0, 0, 2, or 4 eigenvalues zero for spherical, elliptic, Klein-bottle, and toroidal cases, respectively.
Zigzag structure of simple two-faced polyhedra
- Combinatorics, Probability & Computing 14
, 2005
"... A zigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face. A railroad in a plane graph is a circuit of hexagonal faces, such that any hexagon is adjacent to its neighbors on opposite edges. A graph without a railroad is called tight. ..."
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Cited by 4 (2 self)
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A zigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face. A railroad in a plane graph is a circuit of hexagonal faces, such that any hexagon is adjacent to its neighbors on opposite edges. A graph without a railroad is called tight. We consider the zigzag and railroad structures of general 3-valent plane graph and, especially, of simple two-faced polyhedra, i.e., 3-valent 3-polytopes with only a-gonal and b-gonal faces, where 3 ≤ a < b ≤ 6; the main cases are (a,b) = (3,6), (4,6) and (5,6) (the fullerenes). We completely describe the zigzag structure for the case (a,b)=(3,6). For the case (a,b)=(4,6) we describe symmetry groups, classify all tight graphs with simple zigzags and give the upper bound 9 for the number of zigzags in general tight graphs. For the remaining case (a,b)=(5,6) we give a construction realizing a prescribed zigzag structure.
Goldberg-Coxeter Construction for 3- and 4-valent Plane Graphs
, 2004
"... We consider the Goldberg-Coxeter construction GC k,l (G 0 ) (a generalization of a simplicial subdivision of the dodecahedron considered in [Gold37] and [Cox71]), which produces a plane graph from any 3- or 4-valent plane graph for integer parameters k, l.Azigzag in a plane graph is a circuit of ed ..."
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Cited by 3 (3 self)
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We consider the Goldberg-Coxeter construction GC k,l (G 0 ) (a generalization of a simplicial subdivision of the dodecahedron considered in [Gold37] and [Cox71]), which produces a plane graph from any 3- or 4-valent plane graph for integer parameters k, l.Azigzag in a plane graph is a circuit of edges, such that any two, but no three, consecutive edges belong to the same face; a central circuit in a 4-valent plane graph G is a circuit of edges, such that no two consecutive edges belong to the same face. We study the zigzag (or central circuit) structure of the resulting graph using the algebraic formalism of the moving group,the(k, l)-product and a finite index subgroup of SL 2 (Z), whose elements preserve the above structure. We also study the intersection pattern of zigzags (or central circuits) of GC k,l (G 0 ) and consider its projections, obtained by removing all but one zigzags (or central circuits).
Fullerenes and Coordination Polyhedra versus Half-Cubes Embeddings
, 1997
"... A fullerene F n is a 3-regular (or cubic) polyhedral carbon molecule for which the n vertices - the carbons atoms - are arranged in 12 pentagons and ( n 2 \Gamma 10) hexagons. Only a finite number of fullerenes are expected to be, up to scale, isometrically embeddable into a hypercube. Looking fo ..."
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Cited by 2 (0 self)
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A fullerene F n is a 3-regular (or cubic) polyhedral carbon molecule for which the n vertices - the carbons atoms - are arranged in 12 pentagons and ( n 2 \Gamma 10) hexagons. Only a finite number of fullerenes are expected to be, up to scale, isometrically embeddable into a hypercube. Looking for the list of such fullerenes, we first check the embeddability of all fullerenes F n for n ! 60 and of all preferable fullerenes C n for n ! 86 and their duals. Then, we consider some infinite families, including fullerenes with icosahedral symmetry, which describe virus capsids, onion-like metallic clusters and geodesic domes. Quasi-embeddings and fullerene analogues are considered. We also present some results on chemically relevant polyhedra such as coordination polyhedra and cluster polyhedra. Finally we conjecture that the list of known embeddable fullerenes is complete and present its relevance to the Katsura model for vesicles cells. Contents 1 Introduction and Basic Properties 2 1...
4-valent plane graphs with 2-, 3- and 4-gonal faces, satellite conference (of congress
- of ISM in Beijing) on algebra and combinatorics
"... Call i-hedrite any 4-valent n-vertex plane graph, whose faces are 2-, 3- and 4-gons only and p2+p3 = i. The edges of an i-hedrite, as of any Eulerian plane graph, are partitioned by its central circuits, i.e. those, which are obtained by starting with an edge and continuing at each vertex by the edg ..."
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Call i-hedrite any 4-valent n-vertex plane graph, whose faces are 2-, 3- and 4-gons only and p2+p3 = i. The edges of an i-hedrite, as of any Eulerian plane graph, are partitioned by its central circuits, i.e. those, which are obtained by starting with an edge and continuing at each vertex by the edge opposite the entering one. So, any i-hedrite is a projection of an alternating link, whose components correspond to its central circuits. Call an i-hedrite irreducible, if it has no rail-road, i.e. a circuit of 4-gonal faces, in which every 4-gon is adjacent to two of its neighbors on opposite edges. We present the list of all i-hedrites with at most 15 vertices. Examples of other results: (i) All i-hedrites, which are not 3-connected, are identified. (ii) Any irreducible i-hedrite has at most i − 2 central circuits. (iii) All i-hedrites without self-intersecting central circuits are listed. (iv) All symmetry group of i-hedrites are listed.
A Zoo of l_1-embeddable Polyhedra II
"... We complete here the study of l 1 -polyhedra started in our previous paper on this subject, [DeGr97a]. New classes are considered, especially small polyhedra, some operations on Platonic solids and k-valent polyhedra with only two types of faces. 1 ..."
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We complete here the study of l 1 -polyhedra started in our previous paper on this subject, [DeGr97a]. New classes are considered, especially small polyhedra, some operations on Platonic solids and k-valent polyhedra with only two types of faces. 1
THE INFLUENCE OF SYMMETRY ON THE PROBABILITY OF ASSEMBLY PATHWAYS FOR ICOSAHEDRAL VIRAL SHELLS
"... This paper motivates and sets up the mathematical framework for a new program of investigation: to isolate and clarify the precise influence of symmetry on the probability space of assembly pathways that successfully lead to icosahedral viral shells. Several tractable open questions are posed. Besid ..."
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This paper motivates and sets up the mathematical framework for a new program of investigation: to isolate and clarify the precise influence of symmetry on the probability space of assembly pathways that successfully lead to icosahedral viral shells. Several tractable open questions are posed. Besides its virology motivation, the topic is of independent mathematical interest for studying constructions of symmetric polyhedra. Preliminary results are presented: a natural, structural classification of subsets of facets of T = 1 polyhedra, based on their stabilizing subgroups of the icosahedral group; and a theorem that uses symmetry to formalize why increasing depth increases the numeracy (and hence probability) of an assembly pathway type (or symmetry class) for a T = 1 viral shell. 1.
Twisted Domes
"... The most usual polyhedra with large numbers of triangular faces are geodesic domes, having non-regular triangles chosen so that the polyhedron approximates to a sphere. If the faces are equilateral triangles more interesting forms result, particularly if there are no planes of mirror symmetry, and t ..."
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The most usual polyhedra with large numbers of triangular faces are geodesic domes, having non-regular triangles chosen so that the polyhedron approximates to a sphere. If the faces are equilateral triangles more interesting forms result, particularly if there are no planes of mirror symmetry, and the polyhedron has a twisted appearance. Some techniques for producing such polyhedra are described, and illustrated with examples. Twisted Tilings Of the various kinds of tiling that Grünbaum and Shephard[1] call not edge-to-edge, some (the right hand tilings figure 1 for example) retain rotational symmetry but lose mirror symmetry, and occur in right and left handed forms. Although they can be seen as the result of sliding faces, they can also be seen as the result of twisting the faces of an edge-to-edge tiling. This has the effect of producing additional faces at the vertices of the edge-to-edge tiling. A dual to a tiling has a vertex corresponding to each face of the original, and a face coresponding to each vertex of the original. Vertices in the dual are joined by an edge if and only if faces in the original have an edge in common (and conversely). The new faces in the twisted tiling must be faces of the dual tiling, because of their relation to the original vertices: the edges meeting at the vertex are sides of the new

