The AΠu state of : Electric properties, fine and hyperfine coupling constants, and magnetic moments (g-factors). A theoretical study

Several properties are calculated for A²Π_u of —the majority for the first time—including electric and magnetic moments, and fine/hyperfine structure (fs/hfs) parameters. The new results are compared with our previous ones for X² and B² of [P.J. Bruna, F. Grein, J. Mol. Spectrosc. 227 (2004) 67–80]. The electric quadrupole Θ and hexadecapole Φ moments, polarizability α, and hfs constants a, b, c, d, eQq₀, eQq₂ are evaluated at the density functional theory (DFT) level [B3LYP/aug-cc-pVQZ]. The fs constants (spin–orbit coupling A_Π, Λ-doubling p, q, spin-rotation γ_Π), and magnetic moments (g-factors) are obtained via 2nd-order sum-over-states expansions, using wavefunctions and matrix elements obtained with a multireference configuration interaction (MRDCI) method, and the Breit–Pauli Hamiltonian. At equilibrium, 2nd-order properties of A²Π_u are dominated by its coupling with B². For the A state, two independent components are reported for traceless tensor properties (multipoles Θ and Φ; hfs parameters c/d and q₀/q₂) and three for traced properties (polarizability α and g-factors), i.e., one more component than for axially symmetric Σ states. The currently available experimental data on — limited to A_Π, p, and q—are well reproduced by our theoretical results.     

Intra- and intergroup vocal behavior in resident killer whales, Orcinus orca

Vocal communication within and between groups of individuals has been described extensively in birds and terrestrial mammals, however, little is known about how cetaceans utilize their sounds in their natural environment. Resident killer whales, Orcinus orca, live in highly stable matrilines and exhibit group-specific vocal dialects. Single call types cannot exclusively be associated with particular behaviors and calls are thought to function in group identification and intragroup communication. In the present study call usage of three closely related matrilines of the Northern resident community was compared in various intra- and intergroup contexts. In two out of the three matrilines significant changes in vocal behavior depending both on the presence and identity of accompanying whales were found. Most evidently, family-specific call subtypes, as well as aberrant and variable calls, were emitted at higher rates, whereas "low arousal" call types were used less in the presence of matrilines from different pods, subclans, or clans. Ways in which the observed changes may function both in intra- and intergroup communication.     

Study of carboxylic functionalization of polypropylene surface using the underwater plasma technique

Non-equilibrium solution plasma treatment of polymer surfaces in water offers the possibility of more dense and selective polymer surface functionalization in comparison to the well-known and frequently used low-pressure oxygen plasma. Functional groups are introduced when the polymer surface contacts the plasma moderated solution especially water solutions. The emission of ions, electrons, energy-rich neutrals and complexes, produced by the ion avalanche are limited by quenching, with the aid of the ambient water phase. The UV-radiation produced in plasma formation also helps to moderate the reaction solution further by producing additional excited, ionized/dissociated molecules. Thus, monotype functional groups equipped polymer surfaces, preferably OH groups, originating from the dissociated water molecules, could be produced more selectively. An interesting feature of the technique is its flexibility to use a wide variety of additives in the water phase. Another way to modify polymer surfaces is the deposition of plasma polymers carrying functional groups as carboxylic groups used in this work. Acetic acid, acrylic acid, maleic and itaconic acid were used as additive monomers. Acetic acid is not a chemically polymerizing monomer but it could polymerize by monomer/molecular fragmentation and recombination to a cross linked layer. The other monomers form preferably water-soluble polymers on a chemical way. Only the fragmented fraction of these monomers could form an insoluble coating by cross linking to substrate. The XPS analysis was used to track the alterations in –O-CO- bond percentage on the PP surface. To identify the -COOH groups on substrate surface unambiguously, which have survived the plasma polymerization process, the derivatization with trifluoroethanol was performed.     

On the chiral anomaly in non-Riemannian spacetimes

Thetranslation Chern-Simons type three-formcoframe∧torsion on a Riemann-Cartan spacetime is related (by differentiation) to the Nieh-Yan fourform. Following Chandia and Zanelli, two spaces with nontrivial translational Chern-Simons forms are discussed. We then demonstrate, first within the classical Einstein-Cartan-Dirac theory and second in the quantum heat kernel approach to the Dirac operator, how the Nieh-Yan form surfaces in both contexts, in contrast to what has been assumed previously.     

Nearest-neighbor configuration in (GaIn)(NAs) probed by x-ray absorption spectroscopy

Ga(1-x)In(x)N(y)As(1-y) is a promising material system for the fabrication of inexpensive "last-mile" optoelectronic components. However, details of its atomic arrangement and the relationship to observed optical properties is not fully known. Particularly, a blueshift of emission wavelength is observed after annealing. In this work, we use x-ray absorption fine structure to study the chemical environment around N atoms in the material before and after annealing. We find that as-grown molecular beam epitaxy material consists of a nearly random distribution of atoms, while postannealed material shows segregation of In toward N. Ab initio simulations show that this short-range ordering creates a more thermodynamically stable alloy and is responsible for blueshifting the emission.     

Mean first passage time for a class of non-Markovian processes

We determine the probability distribution of the first passage time for a class of non-Markovian processes. This class contains, amongst others, the well-known continuous time random walk (CTRW), which is able to account for many properties of anomalous diffusion processes. In particular, we obtain the mean first passage time for CTRW processes with truncated power-law transition time distribution. Our treatment is based on the fact that the solutions of the non-Markovian master equation can be obtained via an integral transform from a Markovian Langevin process.     

Finite-Volume Fractional-Moment Criteria¶for Anderson Localization

A technically convenient signature of localization, exhibited by discrete operators with random potentials, is exponential decay of the fractional moments of the Green function within the appropriate energy ranges. Known implications include: spectral localization, absence of level repulsion, strong form of dynamical localization, and a related condition which plays a significant role in the quantization of the Hall conductance in two-dimensional Fermi gases. We present a family of finite-volume criteria which, under some mild restrictions on the distribution of the potential, cover the regime where the fractional moment decay condition holds. The constructive criteria permit to establish this condition at spectral band edges, provided there are sufficient “Lifshitz tail estimates” on the density of states. They are also used here to conclude that the fractional moment condition, and thus the other manifestations of localization, are valid throughout the regime covered by the “multiscale analysis”. In the converse direction, the analysis rules out fast power-law decay of the Green functions at mobility edges. Received: 21 October 1999 / Accepted: 31 March 2000 / Revised: 30 August 2001