arXiv subjects

Franz Gähler

Publications and source records attributed to Franz Gähler.

27 records · Page 2Linked to original sources

arXiv2012

Cohomology of One-dimensional Mixed Substitution Tiling Spaces

We compute the Cech cohomology with integer coefficients of one-dimensional tiling spaces arising from not just one, but several different substitutions, all acting on the same set of tiles. These calculations involve the introduction of a universal version of the Anderson-Putnam complex. We show that, under a certain condition on the substitutions, the projective limit of this universal Anderson-Putnam complex is isomorphic to the tiling space, and we introduce a simplified universal Anderson-Putnam complex that can be used to compute Cech cohomology. We then use this simplified complex to place bounds on the rank of the first cohomology group of a one-dimensional substitution tiling space in terms of the number of tiles.

math.DS↗

arXiv2012

Torsion in Tiling Homology and Cohomology

The first author's recent unexpected discovery of torsion in the integral cohomology of the Tübingen Triangle Tiling has led to a re-evaluation of current descriptions of and calculational methods for the topological invariants associated with aperiodic tilings. The existence of torsion calls into question the previously assumed equivalence of cohomological and K-theoretic invariants as well as the supposed lack of torsion in the latter. In this paper we examine in detail the topological invariants of canonical projection tilings; we extend results of Forrest, Hunton and Kellendonk to give a full treatment of the torsion in the cohomology of such tilings in codimension at most 3, and present the additions and amendments needed to previous results and calculations in the literature. It is straightforward to give a complete treatment of the torsion components for tilings of codimension 1 and 2, but the case of codimension 3 is a good deal more complicated, and we illustrate our methods with the calculations of all four icosahedral tilings previously considered. Turning to the K-theoretic invariants, we show that cohomology and K-theory agree for all canonical projection tilings in (physical) dimension at most 3, thus proving the existence of torsion in, for example, the K-theory of the Tübingen Triangle Tiling. The question of the equivalence of cohomology and K-theory for tilings of higher dimensional euclidean space remains open.

math-ph↗

arXiv2010

Direct Wolf summation of a polarizable force field for silica

We extend the Wolf direct, pairwise r^(-1) summation method with spherical truncation to dipolar interactions in silica. The Tangney-Scandolo interatomic force field for silica takes regard of polarizable oxygen atoms whose dipole moments are determined by iteration to a self-consistent solution. With Wolf summation, the computational effort scales linearly in the system size and can easily be distributed among many processors, thus making large-scale simulations of dipoles possible. The details of the implementation are explained. The approach is validated by estimations of the error term and simulations of microstructural and thermodynamic properties of silica.

cond-mat.mtrl-sci↗

arXiv2010

MLD Relations of Pisot Substitution Tilings

We consider 1-dimensional, unimodular Pisot substitution tilings with three intervals, and discuss conditions under which pairs of such tilings are locally isomorhphic (LI), or mutually locally derivable (MDL). For this purpose, we regard the substitutions as homomorphisms of the underlying free group with three generators. Then, if two substitutions are conjugated by an inner automorphism of the free group, the two tilings are LI, and a conjugating outer automorphism between two substitutions can often be used to prove that the two tilings are MLD. We present several examples illustrating the different phenomena that can occur in this context. In particular, we show how two substitution tilings can be MLD even if their substitution matrices are not equal, but only conjugate in $GL(n,\mathbb{Z})$. We also illustrate how the (in our case fractal) windows of MLD tilings can be reconstructed from each other, and discuss how the conjugating group automorphism affects the substitution generating the window boundaries.

math.DS↗

arXiv2007

Potfit: effective potentials from ab-initio data

We present a program called potfit which generates an effective atomic interaction potential by matching it to a set of reference data computed in first-principles calculations. It thus allows to perform large-scale atomistic simulations of materials with physically justified potentials. We describe the fundamental principles behind the program, emphasizing its flexibility in adapting to different systems and potential models, while also discussing its limitations. The program has been used successfully in creating effective potentials for a number of complex intermetallic alloys, notably quasicrystals.

cond-mat.mtrl-sci↗

arXiv2007

Effective potentials for quasicrystals from ab-initio data

Classical effective potentials are indispensable for any large-scale atomistic simulations, and the relevance of simulation results crucially depends on the quality of the potentials used. For complex alloys like quasicrystals, however, realistic effective potentials are practically inexistent. We report here on our efforts to develop effective potentials especially for quasicrystalline alloy systems. We use the so-called force matching method, in which the potential parameters are adapted so as to optimally reproduce the forces and energies in a set of suitably chosen reference configurations. These reference data are calculated with ab-initio methods. As a first application, EAM potentials for decagonal Al-Ni-Co, icosahedral Ca-Cd, and both icosahedral and decagonal Mg-Zn quasicrystals have been constructed. The influence of the potential range and degree of specialisation on the accuracy and other properties is discussed and compared.

cond-mat.mtrl-sci↗

arXiv2003

Finite-Temperature Order-Disorder Phase Transition in a Cluster Model of Decagonal Tilings

In a recent paper ["Cluster Model of Decagonal Tilings" (to be published in Phys. Rev. B)], we have introduced a cluster model for decagonal tilings in two dimensions. This model is now extended to three dimensions. Two-dimensional tilings are stacked on top of each other, with a suitable coupling between adjacent layers. An energy model with interactions leading to a perfect decagonal quasicrystal at low temperatures is studied by Monte Carlo simulations. An order parameter is defined, and its dependence on temperature and system size is investigated. Evidence for a finite-temperature order-disorder phase transition is presented. The critical exponents of this transition are determined by finite-size scaling.

cond-mat↗

arXiv2003

Cluster Model of Decagonal Tilings

A relaxed version of Gummelt's covering rules for the aperiodic decagon is considered, which produces certain random-tiling-type structures. These structures are precisely characterized, along with their relationships to various other random tiling ensembles. The relaxed covering rule has a natural realization in terms of a vertex cluster in the Penrose pentagon tiling. Using Monte Carlo simulations, it is shown that the structures obtained by maximizing the density of this cluster are the same as those produced by the corresponding covering rules. The entropy density of the covering ensemble is determined using the entropic sampling algorithm. If the model is extended by an additional coupling between neighboring clusters, perfectly ordered structures are obtained, like those produced by Gummelt's perfect covering rules.

cond-mat↗

arXiv1998

Symmetry Structure of the Elser-Sloane Quasicrystal

The 4D quasicrystal of Elser and Sloane, obtained from the root lattice E8 by the cut-and-project method, can be parametrized by the points of an 8D torus. This allows for an explicit analysis of its point and inflation symmetry structure.

cond-mat↗