Abelian varieties with finite abelian group action

An automorphism of an abelian variety induces a decomposition of the variety up to isogeny. There are two such results, namely the isotypical decomposition and Roan’s decomposition theorem. We show that they are essentially the same. Moreover, we generalize in a sense this result to abelian varieties with action of an arbitrary finite abelian group. An early version of this article was inadvertently published before all the revisions had been completed and then retracted [https://doi.org/10.1007/s00013-018-1244-3]. This article is the final peer reviewed version.

     

Calculations of molecular multipole electric moments of a series of exo-insaturated four-membered heterocycles,Y = CCH2CH2X

The influence of ring puckering angle on the multipole moments of sixteen four-membered heterocycles (1-16) was theoretically estimated using MP2 and different DFTs in combination with the 6-31+G(d,p) basis set. To obtain an accurate evaluation, CCSD/cc-pVDZ level and, the MP2 and PBE1PBE methods in combination with the aug-cc-pVDZ and aug-cc-pVTZ basis sets were performed on the planar geometries of 1-16. In general, the DFT and MP2 approaches provided an identical dependence of the electrical properties with the puckering angle for 1-16. Quantitatively, the quality of the level of theory and basis sets affects significant the predictions of the multipole moments, in particular for the heterocycles containing C=O and C=S bonds. Convergence basis sets within the MP2 and PBE1PBE approximations are reached in the dipole moment calculations when the aug-cc-pVTZ basis set is used, while the quadrupole and octupole moment computations require a larger basis set than aug-cc-pVTZ. On the other hand, the multipole moments showed a strong dependence with the molecular geometry and the nature of the carbon-heteroatom bonds. Specifically, the C-X bond determines the behavior of the μ(?), θ(?) and ?(?) functions, while the C=Y bond plays an important role in the magnitude of the studied properties.     

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C₆₀ fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.     

Electron microscopy characterization of nanostructured carbon obtained from chlorination of metallocenes and metal carbides

In this work we report some new well-defined carbon nanostructures produced by direct chlorination of metallocenes (ferrocene and cobaltocene) and NbC, at temperatures from 100 to 900 degrees C. Thus, amorphous carbon nanotubes with variable dimensions depending on reaction temperature were produced from ferrocene. When cobaltocene is the carbon precursor the main product are solid amorphous nanospheres. The high refractory metal carbide NbC as carbon source favours the growth of nanospherical cabbage-like particles with a higher degree of graphene sheets order. Besides, NbC crystallites encapsulated in an amorphous carbon shell were also found at lower temperatures (T< or =700 degrees C).     

Solid-State NMR Spectroscopy: A Powerful Technique to Directly Study Small Gas Molecules Adsorbed in Metal–Organic Frameworks

Metal–organic frameworks (MOFs) have shown great potential in gas separation and storage, and the design of MOFs for these purposes is an on-going field of research. Solid-state nuclear magnetic resonance (SSNMR) spectroscopy is a valuable technique for characterizing these functional materials. It can provide a wide range of structural and motional insights that are complementary to and/or difficult to access with alternative methods. In this Concept article, the recent advances made in SSNMR investigations of small gas molecules (i.e., carbon dioxide, carbon monoxide, hydrogen gas and light hydrocarbons) adsorbed in MOFs are discussed. These studies demonstrate the breadth of information that can be obtained by SSNMR spectroscopy, such as the number and location of guest adsorption sites, host–guest binding strengths and guest mobility. The knowledge acquired from these experiments yields a powerful tool for progress in MOF development.     

A numerical approach on hybrid nanofluid behavior in laminar duct flow with various cross sections

Journal of Thermal Analysis and Calorimetry - In this paper, a three-dimensional analysis is used to study the heat transfer and fluid flow characteristics in ducts with various cross-sectional...     

Algorithm for the Semigroup of a Space Curve Singularity

The semigroup of values of irreducible space curve singularities is the set of intersection multiplicities among hypersurfaces and the given curve. It is an invariant of the singularity, and for plane curves it characterizes the equisingularity type considered by Zariski. For space curve singularities the semigroup of values is a numerical semigroup and it can not be computed by means of the exponents of any Puiseux parametrization, as in the plane case. We obtain an algorithm for calculating the semigroup of values of a space curve singularity, which determines the generators of the semigroup and the valuation ideals associated with the semigroup. We give a Maple version of the algorithm.     

Separating the solution sets of analytical and polynomial systems

A linear inequality system with infinitely many constraints is polynomial (analytical) if its index set is a compact interval of the real line and all its coefficients are polynomial (analytical, respectively) functions of the index on this interval. This paper provides an example of analytical system whose solution set cannot be the solution set of any polynomial system. Research supported by DGES of Spain and FEDER of UE, Grant BFM2002-04114-C02-01. Research supported by CONACyT of Mexico, Grant 130036. Research partially supported by CONACyT of Mexico, Grant 44003.     

Determination of strain and stress distribution on shearwalls by using the speckle photography technique

Speckle photography (SP) is a powerful tool that is adequate to determine small displacements in micrometer range. This information shows other characteristics of structure deformation under loads and can be determined as stress and strain distribution. In this paper we present the results of the application of the SP technique used to study the behaviour of discontinuities in a shearwall model. These structural elements are very important to the stability of buildings. The displacement whole field around the discontinuities and loading points was determined using the pointwise method. This allows us to determine stress distribution at the point of interest by means of the suitable equations. We also present the stress distribution obtained through the finite element method in order to compare the results obtained by means of these two techniques. Good correspondence was found between the displacements determined by both techniques (r=0.982) and also between the stress values we obtained.     

Noncommutative Jordan C*-algebras

We introduce noncommutative JB*-algebras which generalize both B*-algebras and JB*-algebras and set up the bases for a representation theory of noncommutative JB*-algebras. To this end we define noncommutative JB*-factors and study the factor representations of a noncommutative JB*-algebra. The particular case of alternative B*-factors is discussed in detail and a Gelfand-Naimark theorem for alternative B*-algebras is given.