Search results for " Canon"
showing 10 items of 222 documents
Unified Rate Theory of Electrochemistry and Electrocatalysis: Fixed Potential Formulation for General, Electron Transfer, and Proton-Coupled Electron…
2019
Atomistic modeling of electrocatalytic reactions is most naturally conducted within the grand canonical ensemble (GCE) which enables fixed chemical potential calculations. While GCE has been widely adopted for modeling electrochemical and electrocatalytic thermodynamics, the electrochemical reaction rate theory within GCE is lacking. Molecular and condensed phase rate theories are formulated within microcanonical and canonical ensembles, respectively, but electrocatalytic systems described within the GCE require extension of the conventionally used rate theories for computation reaction rates at fixed electrode potentials. In this work, rate theories from (micro)canonical ensemble are gener…
Riflessioni su specificità effettive e apparenti del regime giuridico applicabile nel ripristino di beni culturali d’interesse religioso, alla luce d…
2009
Il contributo affronta,alla luce della sentenza n. 63 del 2008 della Corte dei Conti (Sez. Giurisdiz. Regione siciliana) le specificità del regime giuridico applicabile nel ripristino di beni culturali d’interesse religioso.
Critical point and coexistence curve properties of the Lennard-Jones fluid: A finite-size scaling study
1995
Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and energy fluctuations at coexistence. In the vicinity of the critical point, this distribution is analysed using mixed-field finite-size scaling techniques aided by histogram reweighting methods. The analysis yields highly accurate estimates of the critical point parameters, as well as exposing the size and character of corrections to scaling. In the sub-critical coexistence region the density distribution is obtained by combining multicanonical simulations wit…
The ideal duplication
2021
AbstractIn this paper we present and study the ideal duplication, a new construction within the class of the relative ideals of a numerical semigroup S, that, under specific assumptions, produces a relative ideal of the numerical duplication $$S\bowtie ^b E$$ S ⋈ b E . We prove that every relative ideal of the numerical duplication can be uniquely written as the ideal duplication of two relative ideals of S; this allows us to better understand how the basic operations of the class of the relative ideals of $$S\bowtie ^b E$$ S ⋈ b E work. In particular, we characterize the ideals E such that $$S\bowtie ^b E$$ S ⋈ b E is nearly Gorenstein.
Positivity, complex FIOs, and Toeplitz operators
2018
International audience; We establish a characterization of complex linear canonical transformations that are positive with respect to a pair of strictly plurisubharmonic quadratic weights. As an application, we show that the boundedness of a class of Toeplitz operators on the Bargmann space is implied by the boundedness of their Weyl symbols.
Discurso y allegacion en derecho por el clero y beneficiados residentes en la Iglesia Parrochial de la Villa de Cabanes, sobre que deuen preceder los…
1691
Port. amb orla tip. Grav. xil. a port. Sign.: A-E2
Por los dotores Carlos Albella y Vicente Limiñana presbyteros, contra el clero de la villa de Cabanes : sobre que deue mandar este Real Consejo revo…
1693
Port. amb orla tip. Grav. xil. a port. Sign.: A-M2
L'America dei Concordati, Sistemi pattizi e di coordinazione nel subcontinente
2020
Le molteplici convenzioni che sono state firmate tra la Santa Sede e gli Stati dello scacchiere latinoamericano hanno spesso rappresentato l’evoluzione verso concordati fondati non più sul confessionismo statale, ma sul riconoscimento della libertas Ecclesiae, ossia della sua autonomia e indipendenza nell’adempimento della propria missione specifica, e sulla libertà cultuale riconosciuta a tutti i cittadini e alle loro organizzazioni confessionali. Si rivela di particolare interesse analizzare la specificità di questi accordi in termini di dinamiche diplomatiche, nella tipicità dei sistemi delle relazioni bilaterali, nonché delle politiche religiose dal XIX al XXI secolo.
Isotropic–isotropic phase separation in mixtures of rods and spheres: Some aspects of Monte Carlo simulation in the grand canonical ensemble
2008
Abstract In this article we consider mixtures of non-adsorbing polymers and rod-like colloids in the isotropic phase, which upon the addition of polymers show an effective attraction via depletion forces. Above a certain concentration, the depletant causes phase separation of the mixture. We performed Monte Carlo simulations to estimate the phase boundaries of isotropic–isotropic coexistence. To determine the phase boundaries we simulated in the grand canonical ensemble using successive umbrella sampling [J. Chem. Phys. 120 (2004) 10925]. The location of the critical point was estimated by a finite size scaling analysis. In order to equilibrate the system efficiently, we used a cluster move…
How do droplets on a surface depend on the system size?
2002
Abstract We investigate the thermodynamics of inhomogeneous polymer melts in the framework of a coarse grained off-lattice model. Properties of the liquid–vapour interface and the packing of the melt in contact with an attractive wall are considered. We employ Monte Carlo simulations in the grand canonical ensemble to determine excess free energies, the wetting temperature and the pre-wetting line, as well as the pre-wetting critical point. Having determined the wetting properties and the phase diagram of the model polymer, we perform canonical Monte Carlo simulations of small droplets on a surface. This allows us to study the dependence of droplet size on the wetting properties. It is foun…