Stable atomic structure and magnetism of Pt–Cr binary surface alloys on Pt(0 0 1): First-principle calculations

The possibility of Pt–Cr surface alloys formation on Pt(0 0 1) was investigated and their magnetism was calculated by the full-potential linearized augmented plane wave (FLAPW) method with eight different atomic configurations. The most stable structure was calculated to be the Pt-segregated L1₂ ferromagnetic surface alloy. A₃B types (L1₂ or D0₂₂) were more stable compared to AB types (L1₀). It implies that the A₃B type surface alloys may be formed when depositing a monolayer of Cr on Pt(0 0 1). It was found from the total energy calculations that there exists a strong tendency of the Pt segregation. The segregation further stabilizes the surface alloy significantly. The work function of the most stable surface alloy was calculated to be 6.02 eV and the magnetic moment of the surface Cr was much enhanced to 3.3 μ_B. It is a quite interesting finding that the coupling between Cr and Pt atoms on the surface plane is ferromagnetic in the Pt-segregated L1₂ ferromagnetic surface alloy, while the coupling is antiferromagnetic in the bulk.     

How to Exhibit Toroidal Maps in Space

Steinitz's theorem states that a graph is the 1-skeleton of a convex polyhedron if and only if it is 3-connected and planar. The polyhedron is called a geometric realization of the embedded graph. Its faces are bounded by convex polygons whose points are coplanar. A map on the torus does not necessarily have such a geometric realization. In this paper we relax the condition that faces are the convex hull of coplanar points. We require instead that the convex hull of the points on a face can be projected onto a plane so that the boundary of the convex hull of the projected points is the image of the boundary of the face. We also require that the interiors of the convex hulls of different faces do not intersect. Call this an exhibition of the map. A map is polyhedral if the intersection of any two closed faces is simply connected. Our main result is that every polyhedral toroidal map can be exhibited. As a corollary, every toroidal triangulation has a geometric realization.     

Development of a finite-element analysis methodology for the propagation of delaminations in composite structures

Analysing the collapse of skin-stiffened structures requires capturing the critical phenomenon of skin-stiffener separation, which can be considered analogous to interlaminar cracking. This paper presents the development of a numerical approach for simulating the propagation of interlaminar cracks in composite structures. A degradation methodology was introduced in MSC.Marc, which involved the modelling of a structure with shell layers connected by user-defined multiple-point constraints (MPCs). User subroutines were written that employ the virtual crack closure technique (VCCT) to determine the onset of crack growth and modify the properties of the user-defined MPCs to simulate crack propagation. Methodologies for the release of failing MPCs are presented and are discussed with reference to the VCCT assumption of self-similar crack growth. The numerical results obtained by using the release methodologies are then compared with experimental data for a double-cantilever beam specimen. Based on this comparison, recommendations for the future development of the degradation model are made, especially with reference to developing an approach for the collapse analysis of fuselage-representative structures. Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 43, No. 1, pp. 15–42, January–February, 2007.     

Trimeric liquid crystals containing lateral alkyl chains

The first twelve members of the n-alkyl 2,5-bis-(4'-cyanobiphenyloxybutyloxy)-benozates have been prepared. The compounds are nematogenic; in addition the first three members exhibit a smectic A phase. The nematic-isotropic transition temperatures decrease with little or no alternation on increasing the number of methylene groups in the lateral chain; this is analogous to the behaviour found in monomeric and polymeric mesogens possessing lateral alkyl chains.     

Higher-Order Simple Lie Algebras

It is shown that the non-trivial cocycles on simple Lie algebras may be used to introduce antisymmetric multibrackets which lead to higher-order Lie algebras, the definition of which is given. Their generalised Jacobi identities turn out to be satisfied by the antisymmetric tensors (or higher-order “structure constants”) which characterise the Lie algebra cocycles. This analysis allows us to present a classification of the higher-order simple Lie algebras as well as a constructive procedure for them. Our results are synthesised by the introduction of a single, complete BRST operator associated with each simple algebra. Received: 3 June 1996 / Accepted: 8 November 1996     

New results for isotropic point scatterers: Foldy revisited

Since 1945, Foldy’s method has been used to predict velocity and attenuation for various types of scatterers. In this paper, it is shown that Foldy’s method also yields predictions of reflection and transmission of scalar waves by a random distribution of point or line scatterers contained in a slab. Results are given in two and three dimensions, and for normal and oblique incidences. Formulae are also obtained for the reflection and transmission of longitudinal waves by point or line scatterers distributed in an elastic (non-viscous) fluid. Energy equations are derived, and expressions are obtained for the energy dissipated in the slab on average over one period. Curves for the reflection and transmission coefficients are presented in the case of solid cylindrical bars immersed in a fluid. The results obtained in this paper are expected to be valid for a low density of scatterers. Potential applications of this work occur in ultrasonic evaluation of materials, seismic exploration and medical ultrasonics, where reflected (or backscattered) data are used to construct maps or images of the materials (metals, composites, earth subsurface, tissue). The formulae of this work are expected to provide useful tools for better and more efficient mapping or imaging.     

Analysis of nitrite and nitrate as 1-nitro-2,4,6-trimethoxybenzene derivatives by reversed-phase HPLC with UV-detection

Summary A reversed-phase HPLC method for the determination of nitrite and nitrate in aqueous solutions, biological buffers and human urine is described. The method is based on the conversion of nitrite and nitrate into their 1-nitro-2,4,6-trimethoxybenzene (NTBM) derivatives by using 1,3,5-trimethoxybenzene and concentrated sulphuric acid. NTMB is extracted by benzene, the solvent evaporated, the residue reconstructed in methanol/water (3/4, v/v) and subsequently analyzed by reversed-phase HPLC and UV detection (360 nm). The specificity of the nitration reaction, good reproducibility (C.V. 6.2%) and high sensitivity (8.4 ng nitrite) show the applicability of this method to the quantitative analysis of nitrite and nitrate in several matrices including human urine.     

Phase behaviour of colloid-polymer mixtures

Summary We review the phase behaviour of mixtures of colloids and non-adsorbing polymers. The exclusion of polymer molecules from overlapping ?depletion zones? between two neighbouring colloidal particles results in an unbalanced osmotic pressure pushing the particles together. This depletion potential is separately tunable in range and depth. Theory predicts that the resulting phase behaviour is sensitive to ξ=r _g/R, the ratio of the radius of gyration of a polymer molecule, to the radius of the colloid. At large ξ, a stable colloidalliquid phase becomes possible. This has been confirmed by recent experiments. The formation of non-equilibrium ?transient gel? states when the size ratio is small (≈0.08) is also introduced briefly. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994.