Synthesis of the Aliphatic Subunit of the Macrolide LL‐Z 1640‐2 via Vasella Ring Opening of a 6‐Iodo‐4‐deoxy‐D‐mannose

The synthesis of the aliphatic subunit 9 of the macrolide LL‐Z1640‐2 (I), starting from a 4‐deoxy‐D‐mannose derivative 2a, is described. The procedure includes the first successful application of a Vasella ring opening reaction for a 4‐deoxypyranoside. Nucleophilic addition of an alkynyllithium reagent to the aldehyde 4 led to the propargylic alcohol 7, which was converted to the advanced building block 9 in two further steps.     

Thermochemical analysis of native point defects and substitutional carbon and boron in GaAs crystal growth

The phase extent of GaAs has been analyzed and compared with published phase diagrams as related to total and partial point defect equilibria including charged and uncharged Frenkel, Schottky, antisite defects and substitutional carbon and boron on both sublattices. The well-known transition between semiconducting and semi-insulating behaviour at 300 K as a function of melt stoichiometry in LEC crystals can be reproduced in our model in which complete equilibrium exists above, only electronic equilibrium below a freeze-in temperature of 1100 K. The corresponding model standard enthalpy of formation of neutral Schottky defects is 4.0 eV, of a pair of neutral uncorrelated antisite defects 3.8 eV, of neutral Ga Frenkel defects 4.1 eV and of neutral As Frenkel defects 3.6 eV. Defect reactions in cooling processes after crystal growth are discussed and shown to be quite different for crystals with high or low dislocation density. Semi-insulating behaviour requires the existence of carbon acceptors if dislocations provide internal sources and sinks for point defects. For ideal crystals carbon would not be necessary. The possible site distribution of C and B is analyzed in its dependence on temperature and chemical potential of As. Constitutional supercooling is negligible in LEC growth. Macrosegregation is severe if the As fraction in the melt deviates more than ±0.02 from the stoichiometric value 0.5.     

Vibrational sidebands and the Kondo effect in molecular transistors

Electron transport through molecular quantum dots coupled to a single vibrational mode is studied in the Kondo regime. We apply a generalized Schrieffer-Wolff transformation to determine the effective low-energy spin-spin-vibron interaction. From this model we calculate the nonlinear conductance and find Kondo sidebands located at bias voltages equal to multiples of the vibron frequency. Because of selection rules, the side peaks are found to have strong gate-voltage dependences, which can be tested experimentally. In the limit of weak electron-vibron coupling, we employ a perturbative renormalization group scheme to calculate analytically the nonlinear conductance.     

Weak Coulomb blockade effect in quantum dots

We develop the general nonequilibrium theory of transport through a quantum dot, including Coulomb blockade effects via a 1/N expansion, where N is the number of scattering channels. At lowest order we recover the Landauer formula for the current plus a self-consistent equation for the dot potential. We obtain the leading corrections and compare with earlier approaches. Finally, we show that to leading and to next leading order in 1/N there is no interaction correction to the weak localization, in contrast to previous theories, but consistent with experiments by Huibers et al. [Phys. Rev. Lett. 81, 1917 (1998)], where N=4.     

Schrödinger invariance and strongly anisotropic critical systems

The extension of strongly anisotropic or dynamical scaling to local scale invariance is investigated. For the special case of an anisotropy or dynamical exponent =z=2, the group of local scale transformation considered is the Schrödinger group, which can be obtained as the nonrelativistic limit of the conformal group. The requirement of Schrödinger invariance determines the two-point function in the bulk and reduces the three-point function to a scaling form of a single variable. Scaling forms are also derived for the two-point function close to a free surface which can be either spacelike or timelike. These results are reproduced in several exactly solvable statistical systems, namely the kinetic Ising model with Glauber dynamics, lattice diffusion, Lifshitz points in the spherical model, and critical dynamics of the spherical model with a nonconserved order parameter. For generic values of , evidence from higher-order Lifshitz points in the spherical model and from directed percolation suggests a simple scaling form of the two-point function.     

Anisotropic scaling and generalized conformal invariance at Lifshitz points

The behaviour of the 3D axial next-nearest-neighbor Ising model at the uniaxial Lifshitz point is studied using Monte Carlo techniques. A new variant of the Wolff cluster algorithm permits the analysis of systems far larger than in previous studies. The Lifshitz point critical exponents are alpha = 0.18(2), beta = 0.238(5), and gamma = 1.36(3). Data for the spin-spin correlation function are shown to be consistent with the explicit scaling function derived from the assumption of local scale invariance, which is a generalization of conformal invariance to the anisotropic scaling at the Lifshitz point.     

The Impact of Compaction and Sand Migration on Permeability and Non-Darcy Coefficient from Pore-Scale Simulations

Transport in Porous Media - Compaction and sand migration are important problems in loosely consolidated and unconsolidated high-rate gas reservoirs, and proppants in the hydraulic fractures. Their...     

Formation of Sim and SimCn clusters by C60 sputtering of Si

The secondary ion mass spectrum of silicon sputtered by high energy C₆₀⁺ ions in sputter equilibrium is found to be dominated by Si clusters and we report the relative yields of Si_m⁺ (1 ≤ m ≤ 15) and various Si_mC_n⁺ clusters (1 ≤ m ≤ 11 for n = 1; 1 ≤ m ≤ 6 for n = 2; 1 ≤ m ≤ 4 for n = 3). The yields of Si_m⁺ clusters up to Si₇⁺ are significant (between 0.1 and 0.6 of the Si⁺ yield) with even numbered clusters Si₄⁺ and Si₆⁺ having the highest probability of formation. The abundances of cluster ions between Si₈⁺ and Si₁₁⁺ are still significant (>1% relative to Si⁺) but drop by a factor of ∼100 between Si₁₁⁺ and Si₁₃⁺. The probability of formation of clusters Si₁₃⁺-Si₁₅⁺ is approximately constant at ∼5 × 10⁻⁴ relative to Si⁺ and rising a little for Si₁₅⁺, but clusters beyond Si₁₅ are not detected (Si_m≥16⁺/Si⁺ < 1 × 10⁻⁴). The probability of formation of Si_m⁺ and Si_mC_n⁺ clusters depends only very weakly on the C₆₀⁺ primary ion energy between 13.5 keV and 37.5 keV. The behaviour of Si_m⁺ and Si_mC_n⁺ cluster ions was also investigated for impacts onto a fresh Si surface to study the effects that saturation of the surface with C₆₀⁺ in reaching sputter equilibrium may have had on the measured abundances. By comparison, there are very minor amounts of pure Si_m⁺ clusters produced during C₆₀⁺ sputtering of silica (SiO₂) and various silicate minerals. The abundances for clusters heavier than Si₂⁺ are very small compared to the case where Si is the target.The data reported here suggest that Si_m⁺ and Si_mC_n⁺ cluster abundances may be consistent in a qualitative way with theoretical modelling by others which predicts each carbon atom to bind with 3-4 Si atoms in the sample. This experimental data may now be used to improve theoretical modelling.     

The <Emphasis Type="Italic">k</Emphasis>-domatic number of a graph

Let k be a positive integer, and let G be a simple graph with vertex set V (G). A k-dominating set of the graph G is a subset D of V (G) such that every vertex of V (G)-D is adjacent to at least k vertices in D. A k-domatic partition of G is a partition of V (G) into k-dominating sets. The maximum number of dominating sets in a k-domatic partition of G is called the k-domatic number d _k (G). In this paper, we present upper and lower bounds for the k-domatic number, and we establish Nordhaus-Gaddum-type results. Some of our results extend those for the classical domatic number d(G) = d ₁(G).