On the Detour Matrix

The detour matrix of a graph and its invariants (polynomial, spectrum and Wiener-like index) are discussed. Methods for computing these quantities are presented. Some comparisons with the distance matrix of a graph are given

Local Wiener–Hopf factorization and indices over arbitrary fields

AbstractIn this paper, a generalization to arbitrary fields of the usual Wiener–Hopf equivalence of complex valued rational matrix functions is given and the left local Wiener–Hopf factorization indices defined in our previous work [A. Amparan, S. Marcaida, I. Zaballa, Local realizations and local polynomial matrix representations of systems, Linear Algebra Appl. 425 (2007) 757–775] are proved to form a complete system of invariants for this equivalence relation. For the case when the field is algebraically closed a reduced form of a controllable matrix pair under the feedback equivalence is presented for which the controllability indices can be written as sums of the local controllability indices [A. Amparan, S. Marcaida, I. Zaballa, On the existence of linear systems with prescribed invariants for system similarity, Linear Algebra Appl. 413 (2006) 510–533]

GTI-space : the space of generalized topological indices

A new extension of the generalized topological indices (GTI) approach is carried out torepresent 'simple' and 'composite' topological indices (TIs) in an unified way. Thisapproach defines a GTI-space from which both simple and composite TIs represent particular subspaces. Accordingly, simple TIs such as Wiener, Balaban, Zagreb, Harary and Randićconnectivity indices are expressed by means of the same GTI representation introduced for composite TIs such as hyper-Wiener, molecular topological index (MTI), Gutman index andreverse MTI. Using GTI-space approach we easily identify mathematical relations between some composite and simple indices, such as the relationship between hyper-Wiener and Wiener index and the relation between MTI and first Zagreb index. The relation of the GTI space with the sub-structural cluster expansion of property/activity is also analysed and some routes for the applications of this approach to QSPR/QSAR are also given

Thermodynamically admissible form for discrete hydrodynamics

We construct a discrete model of fluid particles according to the GENERIC formalism. The model has the form of Smoothed Particle Hydrodynamics including correct thermal fluctuations. A slight variation of the model reproduces the Dissipative Particle Dynamics model with any desired thermodynamic behavior. The resulting algorithm has the following properties: mass, momentum and energy are conserved, entropy is a non-decreasing function of time and the thermal fluctuations produce the correct Einstein distribution function at equilibrium.Comment: 4 page