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Register a new userGenerating modular lattices of up to 30 elements
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Jukka Kohonen
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An algorithm is presented for generating finite modular, semimodular, graded, and geometric lattices up to isomorphism. Isomorphic copies are avoided using a combination of the general-purpose graph-isomorphism tool nauty and some optimizations that handle simple cases directly. For modular and semimodular lattices, the algorithm prunes the search tree much earlier than the method of Jipsen and Lawless, leading to a speedup of several orders of magnitude. With this new algorithm modular lattices are counted up to 30 elements, semimodular lattices up to 25 elements, graded lattices up to 21 elements, and geometric lattices up to 34 elements. Some statistics are also provided on the typical shape of small lattices of these types.
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Let $V$ be a set of cardinality $v$ (possibly infinite). Two graphs $G$ and $G$ with vertex set $V$ are {it isomorphic up to complementation} if $G$ is isomorphic to $G$ or to the complement $bar G$ of $G$. Let $k$ be a non-negative integer, $G$ and $G$ are {it $k$-hypomorphic up to complementation} if for every $k$-element subset $K$ of $V$, the induced subgraphs $G_{restriction K}$ and $G_{restriction K}$ are isomorphic up to complementation. A graph $G$ is {it $k$-reconstructible up to complementation} if every graph $G$ which is $k$-hypomorphic to $G$ up to complementation is in fact isomorphic to $G$ up to complementation. We give a partial characterisation of the set $mathcal S$ of pairs $(n,k)$ such that two graphs $G$ and $G$ on the same set of $n$ vertices are equal up to complementation whenever they are $k$-hypomorphic up to complementation. We prove in particular that $mathcal S$ contains all pairs $(n,k)$ such that $4leq kleq n-4$. We also prove that 4 is the least integer $k$ such that every graph $G$ having a large number $n$ of vertices is $k$-reconstructible up to complementation; this answers a question raised by P. Ille
Microscopic calculations of four-body collisions become very challenging in the energy regime above the threshold for four free particles. The neutron-${}^3$He scattering is an example of such process with elastic, rearrangement, and breakup channels. We aim to calculate observables for elastic and inelastic neutron-${}^3$He reactions up to 30 MeV neutron energy using realistic nuclear force models. We solve the Alt, Grassberger, and Sandhas (AGS) equations for the four-nucleon transition operators in the momentum-space framework. The complex-energy method with special integration weights is applied to deal with the complicated singularities in the kernel of AGS equations. We obtain fully converged results for the differential cross section and neutron analyzing power in the neutron-${}^3$He elastic scattering as well as the total cross sections for inelastic reactions. Several realistic potentials are used, including the one with an explicit $Delta$ isobar excitation. There is reasonable agreement between the theoretical predictions and experimental data for the neutron-${}^3$He scattering in the considered energy regime. The most remarkable disagreements are seen around the minimum of the differential cross section and the extrema of the neutron analyzing power. The breakup cross section increases with energy exceeding rearrangement channels above 23 MeV.
The modular decomposition of a symmetric map $deltacolon Xtimes X to Upsilon$ (or, equivalently, a set of symmetric binary relations, a 2-structure, or an edge-colored undirected graph) is a natural construction to capture key features of $delta$ in labeled trees. A map $delta$ is explained by a vertex-labeled rooted tree $(T,t)$ if the label $delta(x,y)$ coincides with the label of the last common ancestor of $x$ and $y$ in $T$, i.e., if $delta(x,y)=t(mathrm{lca}(x,y))$. Only maps whose modular decomposition does not contain prime nodes, i.e., the symbolic ultrametrics, can be exaplained in this manner. Here we consider rooted median graphs as a generalization to (modular decomposition) trees to explain symmetric maps. We first show that every symmetric map can be explained by extended hypercubes and half-grids. We then derive a a linear-time algorithm that stepwisely resolves prime vertices in the modular decomposition tree to obtain a rooted and labeled median graph that explains a given symmetric map $delta$. We argue that the resulting tree-like median graphs may be of use in phylogenetics as a model of evolutionary relationships.
We describe combinatorial approaches to the question of whether families of real matrices admit pairs of nonreal eigenvalues passing through the imaginary axis. When the matrices arise as Jacobian matrices in the study of dynamical systems, these conditions provide necessary conditions for Hopf bifurcations to occur in parameterised families of such systems. The techniques depend on the spectral properties of additive compound matrices: in particular, we associate with a product of matrices a signed, labelled digraph termed a DSR^[2] graph, which encodes information about the second additive compound of this product. A condition on the cycle structure of this digraph is shown to rule out the possibility of nonreal eigenvalues with positive real part. The techniques developed are applied to systems of interacting elements termed interaction networks, of which networks of chemical reactions are a special case.
We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local (spin-)density approximation, ion cores are described by pseudopotentials. We have utilized a new algorithm for solving the Kohn-Sham equations that is formulated entirely in coordinate space and, thus, permits straightforward control of the spatial resolution. Our numerical method is particularly suitable for modern parallel computer architectures; we have thus been able to combine an unrestricted simulated annealing procedure with electronic structure calculations of high spatial resolution, corresponding to a plane-wave cutoff of 954eV for Mg. We report the geometric structures of the resulting ground-state configurations and a few low-lying isomers. The energetics and HOMO-LUMO gaps of the ground-state configurations are carefully examined and related to their stability properties. No evidence for a non-metal to metal transition in neutral and positively charged Mg clusters is found in the regime of ion numbers examined here.
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