Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar + CH3SH+ using an ab initio interpolated potential energy surface

Classical trajectory calculations have been performed to investigate the collision-induced dissociation (CID) of the CH(3)SH(+) cation with Ar atoms. A new intramolecular potential energy surface for the CH(3)SH(+) cation is evaluated by interpolation of 3000 ab initio data points calculated at the MP2/6-311G(d,p) level of theory. The new potential energy surface includes seven accessible dissociation channels of the cation. The present QCT calculations show that migration of hydrogen atoms, leading to the rearrangement CH(3)SH(+) <--> CH(2)SH(2)(+), is significant at the collision energies considered (6.5-34.7 eV) and that the formation of CH(3)(+), CH(3)S(+), and CH(2)(+) cations takes place primarily by a "shattering" mechanism in which the products are formed just after the collision. The theoretical product abundances are found to be in qualitative agreement with the experimental data. However, at high collision energies, the calculated total cross sections for the formation of CH(3)(+) and CH(2)SH(+) cations are noticeably larger than the experimental determinations. Several features of the dynamics of the CID processes are discussed.     

Measurement of charge asymmetries in charmless hadronic B meson decays

We search for CP-violating charge asymmetries (alpha(CP)) in the B meson decays to K(+/-)pi(-/+), K(+/-)pi(0), K(0)(S)pi(+/-), K(+/-)eta('), and omega pi(+/-). Using 9.66 million upsilon(4S) decays collected with the CLEO detector, the statistical precision on alpha(CP) is in the range of +/-0.12 to +/-0.25 depending on decay mode. While CP-violating asymmetries of up to +/-0.5 are possible within the standard model, the measured asymmetries are consistent with zero in all five decay modes studied.     

Coulomb drag as a probe of the nature of compressible States in a magnetic field

Magnetodrag reveals the nature of compressible states and the underlying interplay of disorder and interactions. At nu=3/2 clear T(4/3) dependence is observed, which signifies the metallic nature of the N=0 Landau level. In contrast, drag in higher Landau levels reveals an additional contribution, which anomalously grows with decreasing T before turning to zero following a thermal activation law. The anomalous drag is discussed in terms of electron-hole asymmetry arising from disorder and localization, and the crossover to normal drag at high fields as due to screening of disorder.     

From quantum Hall ferromagnetism to huge longitudinal resistance at the 2/3 fractional quantum Hall state

We observe the transition from a spin-unpolarized to a polarized nu=2/3 fractional quantum Hall state at low currents (<5 nA), recently described in terms of quantum Hall ferromagnetism, versus density and parallel magnetic field. At larger currents the time and current dependent huge longitudinal resistance (HLR) is always initiated at the transition. Transport in the HLR regime is linear and the amount of current-induced nuclear polarization in the HLR is comparable to the thermal nuclear polarization at approximately 20 mK and 10 T. A current-induced disorder in the nuclear polarization is speculated to cause the enhanced resistance in the HLR regime.     

On moment-type estimators for a class of log-symmetric distributions

In this paper, we propose three simple closed form estimators for a class of log-symmetric distributions on \({\mathbb {R}}^{+}\). The proposed methods make use of some key properties of this class of distributions. We derive the asymptotic distributions of these estimators. The performance of the proposed estimators are then compared with those of the maximum likelihood estimators through Monte Carlo simulations. Finally, some illustrative examples are presented to illustrate the methods of estimation developed here.     

Molecular Triangles: Synthesis,Self‐Assembly,and Blue Emission of Cyclo‐7,10‐tris‐triphenylenyl Macrocycles

A set of cyclo‐7,10‐tris‐triphenylenyl macrocycles have been prepared by a Yamamoto cyclotrimerization protocol. In these novel macrocycles, three triphenylene units are covalently linked to each other, resulting in the formation of triangular‐shaped molecules. The fully planar derivative revealed pronounced self‐assembly behavior. NMR spectroscopy was used to determine the association constant in solution. 2D wide‐angle X‐ray scattering was applied to the study of the liquid crystallinity of this new discotic mesogen in the bulk state. Furthermore, nonplanar, laterally substituted derivatives were successfully tested as blue emitters in organic light‐emitting diodes owing to their unique optoelectronic properties and their high stability. In this case, substitution with sterically demanding phenyl groups was efficiently used to suppress intermolecular packing, thus preventing undesired quenching effects.     

Nonlocal superelastic model of size-dependent hardening and dissipation in single crystal Cu-Al-Ni shape memory alloys

We propose a nonlocal continuum model to describe the size-dependent superelastic effect observed in recent experiments of single crystal Cu-Al-Ni shape memory alloys. The model introduces two length scales, one in the free energy and one in the dissipation, which account for the size-dependent hardening and dissipation in the loading and unloading response of micro- and nanopillars subject to compression tests. The information provided by the model suggests that the size dependence observed in the dissipation is likely to be associated with a nonuniform evolution of the distribution of the austenitic and martensitic phases during the loading cycle.     

Observability of nonlinear dynamics: normalized results and a time-series approach

This paper investigates the observability of nonlinear dynamical systems. Two difficulties associated with previous studies are dealt with. First, a normalized degree observability is defined. This permits the comparison of different systems, which was not generally possible before. Second, a time-series approach is proposed based on omnidirectional nonlinear correlation functions to rank a set of time series of a system in terms of their potential use to reconstruct the original dynamics without requiring the knowledge of the system equations. The two approaches proposed in this paper and a former method were applied to five benchmark systems and an overall agreement of over 92% was found.