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Jean Guillaume Eon

Publications and source records attributed to Jean Guillaume Eon.

4 recordsLinked to original sources

Infinite geodesic paths and fibers, new topological invariants in periodic graphs.

Rings are well known invariants of nets. In this work, a generalization of the concepts of cycles and rings is introduced. Infinite paths in periodic graphs are defined as connected, acyclic, regular subgraphs of degree two; geodesics are defined as infinite paths such that the unique path between any pair of vertices is a geodesic path in the whole graph. An infinite path can be thought of as an infinite cycle and a geodesic as an infinite ring. In a further step, a geodesic fiber is defined as a minimal 1-periodic subgraph that contains all geodesic paths between any pair of its vertices. Geodesic fibers are topological invariants of periodic graphs whose labeled quotient graphs are subgraphs of the labeled quotient graph of the whole graph; the paper describes applications of geodesic fibers to the analysis of the automorphisms of minimal nets, crystallographic and non-crystallographic nets.

Crystallography, X-Ray↗

A structural analysis of lead hydroxyvanadinite.

Hydroxyvanadinite, Pb(10)(VO(4))(6)(OH)(2), was prepared by the co-precipitation method and analyzed by X-ray absorption spectroscopy (XANES, EXAFS), infrared spectroscopy, Raman scattering and X-ray diffraction (XRD). The results showed that the structure is very similar to that of vanadinite, Pb(10)(VO(4))(6)Cl(2), with space group P6(3)/m (176) and cell parameters a = 10.2242(3) A and c = 7.4537(2) A. A Rietveld refinement of the structure was performed using vanadinite as the starting model and fixing the geometry of the vanadate ion as a rigid body. First-principles Density Functional embedded cluster models are developed to analyze electronic structures, bonding, and densities of states. Interaction of Pb with the OH channel anion is examined in detail, as an important structural feature. A periodic band structure approach was used to obtain a further estimate of relaxed atomic coordinates.

Algorithms↗

Topological density of nets: a direct calculation.

The topological density of a three-dimensional net is currently available after determining its entire coordination sequence. This paper shows that its value can be obtained directly from the set of cycles of the quotient graph of the net. A geometrical tool, the cycles figure of the net has been developed for this purpose. Its construction as a convex polyhedron with triangular faces is described as well as its use for topological density calculations. An exact expression is derived for three-dimensional nets and extended to arbitrary n-dimensional nets. Additionally, this paper describes applications to three-dimensional lattices and nets, n-dimensional diamonds and lonsdaleites.

Journal Article↗

Algebraic determination of generating functions for coordination sequences in crystal structures.

Given a connected crystalline structure, the set of paths and cycles of the quotient graph of its bond net is embedded into a commutative ring structure. Multiplication combines walks to build up geodesics of the net whereas addition stands symbolically for enumerating a collection of walks. Topological criteria are used to define zero divisors which enable the development of an algebraic generator into a combination of geodesics that are in a one-to-one correspondence with the vertices of the net. A ring mapping gives the generating function of the coordination sequence in the net.

Journal Article↗