Site segregation in size-mismatched nanoalloys: Application to Cu-Ag

In order to determine the energetic driving forces for surface segregation in bimetallic clusters, we use a combined approach coupling numerical simulations within an N-body interatomic potential and a lattice-gas model. This approach, which has been used successfully to study both the superficial segregation in semi-infinite alloys and the intergranular segregation, allows us to determine the relative contributions of the three elementary driving forces for the different sites of the cluster surface (vertices, edges and facets) in both dilute limits for the Cu-Ag system. We show that the segregation hierarchy based on broken-bond arguments (preferential segregation to the vertex sites, less to edge sites, and least to facet sites) is not at all universal. In particular, unusual hierarchies are predicted when the sizes of the constituents are strongly different. Furthermore, we compare the segregation driving forces for cubo-octahedral and icosahedral clusters. They are similar for the vertex sites and edge sites, whereas they differ significantly for the sites of the triangular facets. The segregation of the species with the largest atomic radius (Ag) is indeed largely enhanced in the icosahedral structure due to dilations of the orthoradial distances.     

Asymptotic Behavior of Sobolev-Type Orthogonal Polynomials on a Rectifiable Jordan Curve or Arc

Our object of study is the asymptotic behavior of the sequence of polynomials orthogonal with respect to the discrete Sobolev inner product <formula> \langle f, g \rangle = ∈t_{E} f(ξ) \overline{g(ξ)} ρ(ξ) |d ξ|+ f(Z) A g(Z)^H, </formula> where E is a rectifiable Jordan curve or arc in the complex plane f(Z) = (f(z_1), \ldots, f^{(l_1)}(z_1) , \ldots , f(z_m) , \ldots ,f^{(l_m)}(z_m)), A is an M \times M Hermitian matrix, M l ₁ + ⋅s + l _m + m , |d ξ| denotes the arc length measure, ρ is a nonnegative function on E , and z _i ∈Ω, i=1,2,\ldots,m , where Ω is the exterior region to E . July 23, 1999. Dates revised: September 11, 2000 and February 16, 2001. Date accepted: February 26, 2001.     

Multi-scale Young measures

We introduce multi-scale Young measures to deal with problems where multi-scale phenomena are relevant. We prove some interesting representation results that allow the use of these families of measures in practice, and illustrate its applicability by treating, from this perspective, multi-scale convergence and homogenization of multiple integrals.

     

Cosmological models in the scalar-tetradic theory B

We present two methods for solving the cosmological equations of the scalar-tetradic theory B [19] when a Friedmann-Robertson-Walker (FRW) geometry is assumed. Among the many solutions found there are several physically meaningful ones including inflationary universe solutions.     

Polarization transforming properties of Dove prisms

We analyze the polarization changes introduced by a rotated Dove prism on the linearly polarized light, using the Jones calculus and the exact ray trace analysis. The state of polarization changes from the linear to a mildly elliptical one when a plane wave front passes through a rotated Dove prism: its semi-major axis is nearly parallel to the input plane of polarization, for any angle of prism rotation. The interferogram contrast remains high for all shearing angles in spite of polarization changes when the Dove prism is incorporated into a rotational shearing interferometer. These results are confirmed experimentally.     

Enhancement of the emission yield of silicon nanocrystals in silica due to surface passivation

The ability of surface passivation to enhance the photoluminescence (PL) emission of Si nanocrystals in SiO₂ has been investigated. Silicon precipitation in implanted samples takes place in a time scale of few minutes at 1100°C. For longer annealing at the same temperature, the PL intensity of the Si nanocrystals increases and eventually reaches saturation, while it correlates inversely with the amount of Si dangling bonds at the Si–SiO₂ interface (P_b centers), as measured by electron spin resonance. This combined behavior is independent on the silica matrix properties, implantation profiles and annealing atmosphere and duration. The observation that the light emission enhancement is directly related to the annealing of P_b centers is confirmed by treatment in forming gas. This mild hydrogenation at much lower temperature (450°C) leads to a complete passivation of the P_b defects, increasing at the same time the PL yield and the lifetime.     

Characterization of the behaviour of flavour microcapsules in cotton fabrics

Nanotechnology processes have recently been introduced into the textile field. One of these processes involves encapsulated nanoparticles or nanoproducts, known as microcapsules. They are available with a wide range of products which confer different properties related to the nature of the encapsulated product. The composition of the wall material determines the release of the product into the fabric and is the object of study in the present work. The behaviour of microencapsulated peppermint was analyzed on cotton fabrics.Different application methods have been tested, impregnation versus bath exhaustion. As impregnation turned out to be the most efficient, some recipes were assayed and the effect of microcapsules on maintenance conditions was evaluated in order to determine the most suitable method with the longest lasting effect on fabrics.The effect of microcapsules is usually measured by the presence of a property such as odour measurements when flavours are encapsulated. The aim of this work is to explain the behaviour of the cotton fabrics with microcapsules bound to their fibers, to determine the relationship between their macroscopic properties and microscopic characteristics. A procedure based in FTIR spectroscopy is also proposed to quantify the presence of microcapsules in the fabrics.IR spectra of the textiles were obtained to determine the presence of microcapsules, which was corroborated by SEM techniques.     

On the Cartan–Jacobson Theorem

The well-known Cartan–Jacobson theorem claims that the Lie algebra of derivations of a Cayley algebra is central simple if the characteristic is not 2 or 3. In this paper we have studied these two cases, with the following results: if the characteristic is 2, the theorem is also true, but, if the characteristic is 3, the derivation algebra is not simple. We have also proved that in this last case, there is a unique nonzero proper seven-dimensional ideal, which is a central simple Lie algebra of type A₂, and the quotient of the derivation algebra modulo this ideal turns out to be isomorphic, as a Lie algebra, to the ideal itself. The original motivation of this work was a series of computer-aided calculations which proved the simplicity of derivation algebras of Cayley algebras in the case of characteristic not 3. These computations also proved the existence of a unique nonzero proper ideal (which turns out to be seven-dimensional) in the algebra of derivations of split Cayley algebras in characteristic 3.     

Effect of excess halide on the palladium‐catalyzed insertion‐triggered radical copolymerization of methyl acrylate and 1‐hexene

[Pd₂(μ‐Cl)₂(C₆F₅)₂(tht)₂] ( 1 ) is a very efficient initiator of the radical polymerization of methyl acrylate, but it is not active in the polymerization of methyl methacrylate or in the copolymerization with 1‐hexene. The addition of an excess of NBu₄Cl to solutions of [Pd₂(μ‐Cl)₂(C₆F₅)₂(tht)₂] ( 1 ) provides an initiator system that copolymerizes methyl acrylate and 1‐hexene by an insertion‐triggered radical mechanism. Random copolymers are obtained with 11% incorporation of 1‐hexene in moderate yields (about 35%). Studies of the decomposition products obtained after the first insertion of methyl acrylate in the Pd? C₆F₅ bond of 1 show that the addition of excess halide in the presence of monomer favors the homolytic cleavage of the Pd? C bond, and the generation of the radicals that are active species in the polymerization, versus alternative evolution pathways. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5682–5691, 2006