Non-nearest-neighbor jumps in 2D diffusion: Pd on W(110)

A variety of jumps has in the past been identified in diffusion of atoms on 1D channeled surfaces. To establish the jump processes important in diffusion on a 2D surface, the movement of individual Pd atoms has been examined on W(110). From the distribution of displacements of Pd at high temperatures, double jumps are found along the close-packed <111>. For the first time, sizable differences are also observed between the mean-square displacements along x and y, which demonstrate unexpected contributions from jumps along <110>, but not along <001>. These jumps proceed over activation barriers higher than for single jumps, under conditions predicted from previous work with Pd on the channeled W(211).     

Hyperbolic lines and the stratospheric polar vortex

The necessary and sufficient conditions for Lagrangian hyperbolicity recently derived in the literature are reviewed in the light of older concepts of effective local rotation in strain coordinates. In particular, we introduce the simple interpretation of the necessary condition as a constraint on the local angular displacement in strain coordinates. These mathematically rigorous conditions are applied to the winter stratospheric circulation of the southern hemisphere, using analyzed wind data from the European Center for Medium-Range Weather Forecasts. Our results demonstrate that the sufficient condition is too strong and the necessary condition is too weak, so that both conditions fail to identify hyperbolic lines in the stratosphere. However a phenomenological, nonrigorous, criterion based on the necessary condition reveals the hyperbolic structure of the flow. Another (still nonrigorous) alternative is the finite-size Lyapunov exponent (FSLE) which is shown to produce good candidates for hyperbolic lines. In addition, we also tested the sufficient condition for Lagrangian ellipticity and found that it is too weak to detect elliptic coherent structures (ECS) in the stratosphere, of which the polar vortex is an obvious candidate. Yet, the FSLE method reveals a clear ECS-like barrier to mixing along the polar vortex edge. Further theoretical advancement is needed to explain the apparent success of nonrigorous methods, such as the FSLE approach, so as to achieve a sound kinematic understanding of chaotic mixing in the winter stratosphere and other geophysical flows. (c) 2002 American Institute of Physics.     

Cycles with a chord are graceful

In this paper, we prove that every cycle plus a chord is graceful, thus answering a conjecture of R. Bodendiek, H. Schumacher, and H. Wegner.     

Electronic quasiparticle renormalization on the spin wave energy scale

High-resolution photoemission data of the (110) iron surface reveal the existence of well-defined metallic surface resonances in good correspondence to band calculations. Close to the Fermi level, their dispersion and momentum broadening display anomalies characteristic of quasiparticle renormalization due to coupling to bosonic excitations. Its energy scale exceeds that of phonons by far, and is in striking coincidence with that of the spin wave spectrum in iron. The self-energy behavior thus gives spectroscopic evidence of a quasiparticle mass enhancement due to electron-magnon coupling.     

Platinum(II)-catalyzed 1,6-diene cycloisomerizations: turnover in the absence of beta-hydride elimination

Electrophilic pincer-ligated Pt(II)-dications are efficient catalysts for the cycloisomerization of 1,6-dienes, initiated by alkene activation. The tridentate ligands inhibit beta-hydride elimination and thus enable cationic mechanisms that turnover by Pt(II) extrusion. PPP ligands lead to cyclopropane products, while PNP ligands provide cyclohexene products; mechanistic issues are also discussed.     

MRP-controlled batch-manufacturing environment under uncertainty

The overall aim of this research is to model the effects of uncertainty on delivery performance in an MRP-controlled batch-manufacturing environment with multi-product and multi-level dependent demand. To this end, MRP planning and batch-manufacturing system control architectures were modelled using simulation to implement the MRP release logic. Simulation and experimental design were carried out based on a real case enterprise. ANOVA showed that four uncertainty factors—namely late delivery from suppliers, machine breakdowns, process batch size increments and customer design changes—have significant effects on delivery performance. This ANOVA further showed that uncertainties create knock-on and compound effects; the latter are difficult to predict in practice. Significant two-way and three-way interactions among some uncertainty factors were also found, making it more difficult to characterise the precise factor effects. It was found that the more uncertain the environment is, the later the deliveries are. It can be concluded that MRP-controlled batch-manufacturing enterprises should diagnose uncertainties that are significantly affecting delivery performance, and tackle these uncertainties most urgently to prevent diffusion of knock-on and compound effects and improve delivery performance. This conclusion was validated through the case enterprise, for which significant delivery improvement has been achieved.     

Synthesis of novel 2,6-disubstituted-3,4-dimethylidene tetrahydropyrans via Prins-type cyclization

Synthesis of novel substituted tetrahydropyrans with adjacent exo-methylene groups at the C3 and C4 positions via Prins-type cyclization has been described.     

Optical detection of Cu ion using a SQ-dye containing polymeric thin-film on Au surface

In this study, we have fabricated Cu²⁺ ion sensor using a squarylium dye (SQ-dye) containing polymeric thin-film. Surface Plasmon Resonance (SPR) was used as a signal amplifier to achieve high sensitivity and large linear dynamic range for detection of Cu²⁺ ion. High selectivity to Cu²⁺ ion was obtained by the effective electro-static interaction between SQ-dye and Cu²⁺ ion in the polymeric film. The optimal analytical condition of high selectivity and sensitivity in the wider linear dynamic range obtained in this study may be a result of the cooperative ‘hard-soft’ metal ion-ligand interaction and effective detection of refractive index changes by the complexation of Cu²⁺ ion and SQ-dye in SPR measurement. Among 10 different alkali metal, alkaline earth metal, and transition metal ions, SQ-dye in poly(vinylchloride)–poly(vinyl acetate)–poly(vinyl alcohol) (PVC–PVAc–PVA) copolymer film showed the highest selectivity to Cu²⁺ ion. Although the interaction between SQ-dye and metal ions has not been well understood, both cooperative ‘hard-soft’ metal ion-ligand interaction and size-selective recognition of Cu²⁺ ion to SQ-dye may contribute to high selectivity. Furthermore, additional sensitivity in the detection of Cu²⁺ ion by SPR was obtained by matching the wavelength of probing radiation of SPR and absorption maximum of SQ-dye at 675 nm, which allow to detect small changes in the refractive index by complex formation on the sensing surface. This result may apply in development of the Cu²⁺ ion selective sensor for medical, biochemical, and environmental applications.