Giant spin splitting through surface alloying

The long-range ordered surface alloy Bi/Ag(111) is found to exhibit a giant spin splitting of its surface electronic structure due to spin-orbit coupling, as is determined by angle-resolved photoelectron spectroscopy. First-principles electronic structure calculations fully confirm the experimental findings. The effect is brought about by a strong in-plane gradient of the crystal potential in the surface layer, in interplay with the structural asymmetry due to the surface-potential barrier. As a result, the spin polarization of the surface states is considerably rotated out of the surface plane.     

A mini-landscape of exact MSSM spectra in heterotic orbifolds

We explore a “fertile patch” of the heterotic landscape based on a Z₆-II${\mathbb{Z}}_6\text{-II}$ orbifold with SO(10) and E₆ local GUT structures. We search for models allowing for the exact MSSM spectrum. Our result is that of order 100 out of a total 3×¹⁰⁴$3\times {10}^4$ inequivalent models satisfy this requirement.     

A model for the three lepton decay mode of the proton

An extension of the left-right symmetric model has been constructed which gives in a natural way the three lepton decay modes of the proton which have been suggested as an explanation for the atmospheric neutrino anomaly. We write down the potential which after minimization gives the proper choice of the Higgs spectrum. With this Higgs spectrum we then study the evolution of the gauge coupling constants and point out that for consistency one has to include effects of gravity.     

(Non-)Abelian discrete anomalies

We derive anomaly constraints for Abelian and non-Abelian discrete symmetries using the path integral approach. We survey anomalies of discrete symmetries in heterotic orbifolds and find a new relation between such anomalies and the so-called ‘anomalous’ U(1).     

A beaker without walls: formation of deeply supercooled binary liquid solutions of alcohols from nanoscale amorphous solid films

Layered nanoscale amorphous solid films of methanol and ethanol undergo complete intermixing prior to the onset of measurable desorption at 120 K. This intermixing precedes and inhibits crystallization. Subsequent desorption of the film is described quantitatively by a kinetic model describing evaporation from a continuously mixed ideal binary liquid solution. This occurs at temperatures below the melting point of the binary mixture, indicating ideal behavior for the supercooled liquid solution. This approach provides a new method for preparing and examining deeply supercooled solutions.     

On the heat of formation of nitromethane

Two experimental values (?19.3 ± 0.3 and ?17.8 ± 0.1 kcal/mol) for the gas phase heat of formation (δ_fH) (298k) of nitromethane have been reported. Although these values differ by only 1.5 kcal/mol, substantially greater differences in theoretical and experimental results occur when these differing values are used to calculate thermodynamic properties. This is especially evident when these two values for the δ_fH of nitromethane are used to calculate thermodynamic properties of polynitro compounds. For example, when density functional theory (DFT) is coupled with the use of isodesmic reactions, the Δ_fH of octanitrocubane is calculated to be 160.6 or 172.6 kcal/mol, depending on which value is used. It should also be appreciated that several computational theories depend upon having access to reliable experimental data for testing and development. We have examined this discrepancy using several computational models and several levels of theory. Our results coupled with a comprehensive review of the literature support the lower (?19.3 ± 0.3 kcal/mol) experimental value. This is problematic because the higher value (?17.8 ± 0.1 kcal/mol) has been used in the development and/or testing of several semiempirical quantum mechanical models as well as ab initio Gaussian theory (G2 and G3). Copyright © 2008 John Wiley & Sons, Ltd.     

Wall shear rate distribution for flow in random sphere packings

The wall shear rate distribution P(gamma) is investigated for pressure-driven Stokes flow through random arrangements of spheres at packing fractions 0.1< or =varphi< or =0.64. For dense packings, P(gamma) is monotonic and approximately exponential. As varphi-->0.1, P(gamma) picks up additional structure which corresponds to the flow around isolated spheres, for which an exact result can be obtained. A simple expression for the mean wall shear rate is presented, based on a force-balance argument.     

Jack Polynomials in Superspace

This work initiates the study of orthogonal symmetric polynomials in superspace. Here we present two approaches leading to a family of orthogonal polynomials in superspace that generalize the Jack polynomials. The first approach relies on previous work by the authors in which eigenfunctions of the supersymmetric extension of the trigonometric Calogero-Moser-Sutherland Hamiltonian were constructed. Orthogonal eigenfunctions are now obtained by diagonalizing the first nontrivial element of a bosonic tower of commuting conserved charges not containing this Hamiltonian. Quite remarkably, the expansion coefficients of these orthogonal eigenfunctions in the supermonomial basis are stable with respect to the number of variables. The second and more direct approach amounts to symmetrize products of non-symmetric Jack polynomials with monomials in the fermionic variables. This time, the orthogonality is inherited from the orthogonality of the non-symmetric Jack polynomials, and the value of the norm is given explicitly.     

A phase space analysis of baroclinic flow

The qualitative dynamics of a baroclinic flow experiment are studied by constructing phase space coordinates from a single time series. As the stress on the flow is increased we observe steady, periodic, quasiperiodic, and chaotic flow. The chaotic attractor we observe near the transition has the appearance of a thickened torus.