A density-functional study of the structures, binding energies and total spins of Ni-Fe clusters using nonlocal norm-conserving pseudopotentials and the generalized gradient approximation

We report ab initio calculations of the structures, binding energies, and total spins of the clusters Ni(13), Ni(19), Ni(23), Ni(26), Ni(12)Fe, Ni(11)Fe(2), Ni(18)Fe, Ni(17)Fe(2), Ni(22)Fe, Ni(20)Fe(3), and Ni(25)Fe using a density-functional method that employs linear combination of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials, and the generalized gradient approximation for exchange and correlation. Our results show that the Fe-doped Ni clusters, which have icosahedral or polyicosahedral ground-state structures similar to those of the corresponding pure Ni clusters, are most stable with the Fe atoms occupying internal positions, as has also been inferred from experimental results on the adsorption of molecular nitrogen on the cluster surfaces. We also rule out the possibility that the experimentally observed difference between the (nonpolyicosahedral) configurations of N(2)-saturated Ni(26) and N(2)-saturated Ni(25)Fe be due to the influence of the Fe atom on the energy of the underlying metal cluster.     

$${\cal K}$$-Convexity1 in $$\Re^{n}$$

We generalize the concept of K-convexity to an n-dimensional Euclidean space. The resulting concept of -convexity is useful in addressing production and inventory problems where there are individual product setup costs and/or joint setup costs. We derive some basic properties of -convex functions. We conclude the paper with some suggestions for future research. Support from Columbia University and University of Texas at Dallas is gratefully acknowledged. Helpful comments from Qi Feng are appreciated.     

Deformation of canonical morphisms and the moduli of surfaces of general type

In this article we study the deformation of finite maps and show how to use this deformation theory to construct varieties with given invariants in a projective space. Among other things, we prove a criterion that determines when a finite map can be deformed to a one-to-one map. We use this criterion to construct new surfaces of general type with birational canonical map, for different c₁²c_{1}^{2} and χ (the canonical map of the surfaces we construct is in fact a finite, birational morphism). Our general results enable us to describe some new components of the moduli of surfaces of general type. We also find infinitely many moduli spaces having one component whose general point corresponds to a canonically embedded surface and another component whose general point corresponds to a surface whose canonical map is a degree 2 morphism.     

Optimal seat allocation for two-flight problems with a flexible demand segment

In this paper, we study a two-flight model where there are two flights between two cities in a day (e.g., one departs at 9:00 am and another at 11:00 am) and booking requests in each fare class arrive according to a random process. There are three types of booking requests: the first and second types are respectively for the first and the second flight only; whereas the third type is flexible and willing to take either flight. Upon receiving a booking request, the airline has to decide whether to accept it, and in case a third type is accepted, which flight to accommodate it. This paper uncovers the structure of optimal booking policies through four monotone switching curves. We also present an extension of the basic model to multiple-flight case. Finally, a numerical example is used to illustrate the derivation and the dynamics of the optimal booking policies.     

Imaging spin-reorientation transitions in consecutive atomic Co layers on Ru(0001)

By means of spin-polarized low-energy electron microscopy, we show that the magnetic easy axis of one to three atomic-layer thick cobalt films on Ru(0001) changes its orientation twice during deposition: One-monolayer and three-monolayer thick films are magnetized in plane, while two-monolayer films are magnetized out of plane. The Curie temperatures of films thicker than one monolayer are well above room temperature. Fully relativistic calculations based on the screened Korringa-Kohn-Rostoker method demonstrate that only for two-monolayer cobalt films does the interplay between strain, surface, and interface effects lead to perpendicular magnetization.     

Identification of a set of genes showing regionally enriched expression in the mouse brain

Background

We have recorded responses from single neurons in murine visual cortex to determine the effectiveness of the input from the two murine cone photoreceptor mechanisms and whether there is any unique selectivity for cone inputs at this higher region of the visual system that would support the possibility of colour vision in mice. Each eye was stimulated by diffuse light, either 370 (strong stimulus for the ultra-violet (UV) cone opsin) or 505 nm (exclusively stimulating the middle wavelength sensitive (M) cone opsin), obtained from light emitting diodes (LEDs) in the presence of a strong adapting light that suppressed the responses of rods.

Results

Single cells responded to these diffuse stimuli in all areas of striate cortex. Two types of responsive cells were encountered. One type (135/323 – 42%) had little to no spontaneous activity and responded at either the on and/or the off phase of the light stimulus with a few impulses often of relatively large amplitude. A second type (166/323 – 51%) had spontaneous activity and responded tonically to light stimuli with impulses often of small amplitude. Most of the cells responded similarly to both spectral stimuli. A few (18/323 – 6%) responded strongly or exclusively to one or the other spectral stimulus and rarely in a spectrally opponent manner.

Conclusion

Most cells in murine striate cortex receive excitatory inputs from both UV- and M-cones. A small fraction shows either strong selectivity for one or the other cone mechanism and occasionally cone opponent responses. Cells that could underlie chromatic contrast detection are present but extremely rare in murine striate cortex.     

Cost-allocation problems for fuzzy agents in a fixed-tree network

Fuzzy Optimization and Decision Making - Cost-allocation problems in a fixed network are concerned with distributing the costs for use by a group of clients who cooperate in order to reduce such...     

Bioorthogonal Catalytic Activation of Platinum and Ruthenium Anticancer Complexes by FAD and Flavoproteins

Recent advances in bioorthogonal catalysis promise to deliver new chemical tools for performing chemoselective transformations in complex biological environments. Herein, we report how FAD (flavin adenine dinucleotide), FMN (flavin mononucleotide), and four flavoproteins act as unconventional photocatalysts capable of converting Pt^IV and Ru^II complexes into potentially toxic Pt^II or Ru^II?OH₂ species. In the presence of electron donors and low doses of visible light, the flavoproteins mini singlet oxygen generator (miniSOG) and NADH oxidase (NOX) catalytically activate Pt^IV prodrugs with bioorthogonal selectivity. In the presence of NADH, NOX catalyzes Pt^IV activation in the dark as well, indicating for the first time that flavoenzymes may contribute to initiating the activity of Pt^IV chemotherapeutic agents.     

Degenerations of K3 surfaces in projective space

The purpose of this article is to study a certain kind of numerical K3 surfaces, the so-called K3 carpets. These are double structures on rational normal scrolls with trivial dualizing sheaf and irregularity . As is deduced from our study, K3 carpets can be obtained as degenerations of smooth K3 surfaces. We also study the Hilbert scheme near the locus parametrizing K3 carpets, characterizing those K3 carpets whose corresponding Hilbert point is smooth. Contrary to the case of canonical ribbons, not all K3 carpets are smooth points of the Hilbert scheme.