Based on density functional theory (DFT) calculations we study the electrochemical chlorine evolution reaction on rutile (110) oxide surfaces. First we construct the Pourbaix surface diagram for IrO(2) and RuO(2), and from this we find the chlorine evolution reaction intermediates and identify the lowest overpotential at which all elementary reaction steps in the chlorine evolution reaction are...

In this article, the time-dependent stress redistribution analysis of magneto-electro-elastic (MEE) thick-walled sphere subjected to mechanical, electrical, magnetic and uniform temperature gradient as well as moisture concentration gradient is presented. Combining constitutive equations of MEE with stress-strain relations as well as strain-displacement relations results in obtaining a differen...

The wave equation (free boson) problem is studied from the viewpoint of the relations on the symplectic manifolds associated to the boundary induced by solutions. Unexpectedly there is still something to say on this simple, well-studied problem. In particular, boundaries which do not allow for a meaningful Hamiltonian evolution are not problematic from the viewpoint of relations. In the two-dim...

Representing information that evolves in time in ontologies, as well as reasoning over static and dynamic ontologies are the areas of interest in this work. Building upon well established standards of the semantic Web and the 4D-fluents approach for representing the evolution of temporal information in ontologies, this work demonstrates how qualitative temporal relations that are common in natu...

"Equal causes have equal effects" is reformulated by defining causality as a distinction-conserving relation. Unpredictable, respectively irreversible, processes are analysed as processes in which distinctions are created, respectively are destroyed. Different types of partially causal and pseudo-causal relations are examined. Time order is derived from distinction conservation. It is argued th...

In the context of the dynamical evolution in a non-stationary thermal bath, we construct a family of uctuation relations for the entropy production that are not veri ed by the work performed on the system. We exhibit uctuation relations which are global versions either of the generalized Fluctuation-Dissipation Theorem around a non-equilibrium di usion or of the usual Fluctuation-Dissipation Th...

UNLABELLED Universal ontology of catalytic sites is required to systematize enzyme catalytic sites, their evolution as well as relations between catalytic sites and protein families, organisms and chemical reactions. Here we present a classification of hydrolases catalytic sites based on hierarchical organization. The web-accessible database provides information on the catalytic sites, protein ...