Metastability of non-reversible mean-field Potts model with three spins

We examine a non-reversible, mean-field Potts model with three spins on a set with $N\uparrow\infty$ points. Without an external field, there are three critical temperatures and five different metastable regimes. The analysis can be extended by a perturbative argument to the case of small external fields. We illustrate the case of large external fields with some phenomena which are not present in the absence of external field.Comment: 34 pages, 12 figure

Magnetism and half-metallicity at the O surfaces of ceramic oxides

The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments mainly reside in the surface oxygen atoms and their origin is related to the existence of $2p$ holes of well-defined spin polarization at the valence band of the ionic oxide. The direct relation between magnetization and local loss of donor charge makes possible to extend the magnetization mechanism beyond surface properties

Compositional analysis of InAs-GaAs-GaSb heterostructures by low-loss electron energy loss spectroscopy

As an alternative to Core-Loss Electron Energy Loss Spectroscopy, Low-Loss EELS is suitable for compositional analysis of complex heterostructures, such as the InAs-GaAs-GaSb system, since in this energy range the edges corresponding to these elements are better defined than in Core-Loss. Furthermore, the analysis of the bulk plasmon peak, which is present in this energy range, also provides information about the composition. In this work, compositional information in an InAs-GaAs-GaSb heterostructure has been obtained from Low-Loss EEL spectra

Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study

We study the gas-surface dynamics of O2 at Ag(111) with the particular objective to unravel whether electronic non-adiabatic effects are contributing to the experimentally established inertness of the surface with respect to oxygen uptake. We employ a first-principles divide and conquer approach based on an extensive density-functional theory mapping of the adiabatic potential energy surface (PES) along the six O2 molecular degrees of freedom. Neural networks are subsequently used to interpolate this grid data to a continuous representation. The low computational cost with which forces are available from this PES representation allows then for a sufficiently large number of molecular dynamics trajectories to quantitatively determine the very low initial dissociative sticking coefficient at this surface. Already these adiabatic calculations yield dissociation probabilities close to the scattered experimental data. Our analysis shows that this low reactivity is governed by large energy barriers in excess of 1.1 eV very close to the surface. Unfortunately, these adiabatic PES characteristics render the dissociative sticking a rather insensitive quantity with respect to a potential spin or charge non-adiabaticity in the O2-Ag(111) interaction. We correspondingly attribute the remaining deviations between the computed and measured dissociation probabilities primarily to unresolved experimental issues with respect to surface imperfections.Comment: 18 pages including 6 figure

Chirality in Bare and Passivated Gold Nanoclusters

Chiral structures have been found as the lowest-energy isomers of bare (Au$_{28}$ and Au$_{55}) and thiol-passivated (Au$_{28}(SCH$_{3})$_{16}$and Au$_{38}(SCH_{3})_{24}) gold nanoclusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure. We found that the index of chirality is higher in the passivated clusters and decreases with the cluster size. These results are consistent with the observed chiroptical activity recently reported for glutahione-passivated gold nanoclusters, and provide theoretical support for the existence of chirality in these novel compounds.Comment: 5 pages, 1 figure. Submitted to PR

The graded Jacobi algebras and (co)homology

Jacobi algebroids (i.e. `Jacobi versions' of Lie algebroids) are studied in the context of graded Jacobi brackets on graded commutative algebras. This unifies varios concepts of graded Lie structures in geometry and physics. A method of describing such structures by classical Lie algebroids via certain gauging (in the spirit of E.Witten's gauging of exterior derivative) is developed. One constructs a corresponding Cartan differential calculus (graded commutative one) in a natural manner. This, in turn, gives canonical generating operators for triangular Jacobi algebroids. One gets, in particular, the Lichnerowicz-Jacobi homology operators associated with classical Jacobi structures. Courant-Jacobi brackets are obtained in a similar way and use to define an abstract notion of a Courant-Jacobi algebroid and Dirac-Jacobi structure. All this offers a new flavour in understanding the Batalin-Vilkovisky formalism.Comment: 20 pages, a few typos corrected; final version to be published in J. Phys. A: Math. Ge

Characterization of the spoilage microbiota of hake fillets packaged under a modified atmosphere (MAP) rich in CO2 (50% CO2/50% N2) and stored at different temperatures

The aim of this study was to characterize the spoilage microbiota of hake fillets stored under modified atmospheres (MAP) (50% CO2/50% N2) at different temperatures using high-throughput 16S rRNA gene sequencing and to compare the results with those obtained using traditional microbiology techniques. The results obtained indicate that, as expected, higher storage temperatures lead to shorter shelf-lives (the time of sensory rejection by panelists). Thus, the shelf-life decreased from six days to two days for Batch A when the storage temperature increased from 1 to 7 °C, and from five to two days—when the same increase in storage temperature was compared—for Batch B. In all cases, the trimethylamine (TMA) levels measured at the time of sensory rejection of hake fillets exceeded the recommended threshold of 5 mg/100 g. Photobacterium and Psychrobacter were the most abundant genera at the time of spoilage in all but one of the samples analyzed: Thus, Photobacterium represented between 19% and 46%, and Psychrobacter between 27% and 38% of the total microbiota. They were followed by Moritella, Carnobacterium, Shewanella, and Vibrio, whose relative order varied depending on the sample/batch analyzed. These results highlight the relevance of Photobacterium as a spoiler of hake stored in atmospheres rich in CO2. Further research will be required to elucidate if other microorganisms, such as Psychrobacter, Moritella, or Carnobacterium, also contribute to spoilage of hake when stored under MAP