High-order vibrational relaxation: a nonperturbative theory

A nonperturbative theory of the multiphonon relaxation of a localized vibrational mode, caused by a high-order anharmonic interaction with the nearest atoms of the crystal lattice, is proposed. It relates the rate of the process to the positive frequency part of the time-dependent non-stationary displacement correlation function of atoms. The nonlinear integral equation for this function is derived and solved numerically. We have found that the rate exhibits a critical behavior: it sharply increases near a specific (critical) value(s) of the interaction; the corresponding dependence is characterized by the critical index k - 1, where k is the number of the created phonons. Received 2 May 2002 Published online 31 July 2002     

Growth and addition in a herding model

A model of herding is introduced which is exceptionally simple, incorporating only two phenomena, growth and addition. At each time step either (i) with probability p the system grows through the introduction of a new agent or (ii) with probability q = 1 - p a free agent already in the system is added at random to a group of size k with rate A_k. Two versions of the model, A _k = k and A _k = 1, are solved and in both versions we find two different types of behaviour. When p > 1/2 all the moments of the distribution of group sizes are linear in time for large time and the group distribution is power-law. When p < 1/2 the system runs out of free agents in a finite time. Received 12 February 2002 Published online 9 July 2002     

Temperature dependences of resistivity and magnetoresistivity for half-metallic ferromagnets

Peculiarities of transport properties of three- and two-dimensional half-metallic ferromagnets are investigated, which are connected with the absence of spin-flip scattering processes. The temperature and magnetic field dependences of resistivity in various regimes are calculated. The resistivity is proportional to T ^9/2 for T < T ^* and to T ^7/2 for T > T ^*, T^* being the crossover temperature for longitudinal scattering processes. The latter scale plays also an important role in magnetoresistance. The contribution of non-quasiparticle (incoherent) states to the transport properties is discussed. It is shown that they can dominate in the temperature dependence of the impurity-induced resistivity and in the tunnel junction conductivity. Received 16 September 2002 / Received in final form 6 November 2002 Published online 31 December 2002     

Flux enhancement model for cold cesium fine-structure changing collisions

The measurements of fine-structure changing collisions in a cesium magneto-optical trap, reported in a previous work [A. Fioretti et al., Phys. Rev. A 55, R3999 (1997)], are reanalyzed within a model based on the flux enhancement effect, which takes place in cold atomic collisions. In the present analysis, we consider the cooperative effect of the long-range and the shorter-range excitation by the strong trap laser. We evidence also the important role of the hyperfine structure of the Cs₂ molecular levels asymptotically connected to the ground-state and excited-state dissociation limits. Received 22 July 1999 and Received in final form 4 May 2000     

A shell-model approach to fractal-induced turbulence

We present a shell-model of fractal induced turbulence which predicts that structure function scaling exponents decrease in absolute value as the fractal dimension of the turbulence-inducing fractal object increases. This qualitative prediction is in agreement with laboratory measurements. Finer details of the fractal induced turbulence statistics and dynamics depend on the fractal force's phases, i.e. on the detailed construction of the fractal stirrer. In a case of deterministic forcing phases, a critical fractal dimension exists below which the average rate of inter-scale energy transfer <T _n> is a decreasing function of the wavenumber k_n and the structure function scaling exponents take close to Kolmogorov values. Above this critical fractal dimension, <T _n> is an increasing function of k_n and the structure function scaling exponents deviate significantly from Kolmogorov values. Received 25 June 2001 / Received in final form 5 April 2002 Published online 19 July 2002     

Self-duality equations for spherically symmetric SU(2) gauge fields

A model of spherically symmetric SU(2) gauge theory is considered. The self-duality equations are written and it is shown that they are compatible with the Einstein-Yang-Mills equations. It is proven that the SU(2) gauge model is self-dual on a Schwarzschild space-time but not on a Reissner-Nordstr?m one. Received: 24 May 2002 / Accepted: 1 July 2002 / Published online: 26 November 2002 RID="a" ID="a"e-mail: gzet@phys.tuiasi.ro Communicated by A. Sch?fer     

Photorefractive ac-enhanced nonlinear response of sillenites: Low- and high-contrast effects

Analytically and numerically we investigate the dependence of the first Fourier harmonics of the space-charge field, induced in an AC-biased sillenite crystal by a light-interference pattern, on the light contrast m. It is shown that within the whole contrast range, 0 < m < 1, these dependences are controlled by the only scalar parameter - the space-charge wave quality factor Q. In the low-contrast limit, m Q ^-2, this factor defines the degree of enhancement of the nonlinear response while for larger contrasts it characterizes strong saturation effects. The data obtained are compared with the results of the previous studies of the AC-response. The possibilities of experimental detection of predicted dependences and their possible implications are discussed. Received 13 September 2002 / Received in final form 27 December 2002 Published online 11 February 2003     

Crystal structure and electromechanical coupling properties of Na0.5Bi2.5Ta2O9 dense ceramics

The crystal structure of sodium bismuth tantalate, Na_0.5Bi_2.5Ta₂O₉, was analyzed by the powder X-ray-diffraction Rietveld method. The distribution of Na atoms was found to be ordered in the A site of the pseudo-perovskite (ATa₂O₇)^2- blocks. The piezoelectric properties were effectively examined using dense bulk ceramics containing manganese oxide as the dopant. The electromechanical coupling coefficients (k_ij) and the electrical quality factors (Q_m) are k_p=10%, k₃₁=8.3%, k_t=19.7%, and Q_m=3000. Received: 1 July 2002 / Accepted: 3 July 2002 / Published online: 10 September 2002 RID="*" ID="*"Corresponding author. Fax: +81-743-726069, E-mail: hiro-t@ms.aist-nara.ac.jp     

Ground state pressure and energy density of an interacting homogeneous Bose gas in two dimensions

We consider an interacting homogeneous Bose gas at zero temperature in two spatial dimensions. The properties of the system can be calculated as an expansion in powers of g, where g is the coupling constant. We calculate the ground state pressure and the ground state energy density to second order in the quantum loop expansion. The renormalization group is used to sum up leading and subleading logarithms from all orders in perturbation theory. In the dilute limit, the renormalization group improved pressure and energy density are expansions in powers of the T ^2B and T ^2Bln(T ^2B), respectively, where T ^2B is the two-body T-matrix. Received 19 April 2002 Published online 13 August 2002     

Force-extension behavior of folding polymers

The elastic response of flexible polymers made of elements which can be either folded or unfolded, having different lengths in these two states, is discussed. These situations are common for biopolymers as a result of folding interactions intrinsic to the monomers, or as a result of binding of other smaller molecules along the polymer length. Using simple flexible-chain models, we show that even when the energy ε associated with maintaining the folded state is comparable to k _B T, the elastic response of such a chain can mimic usual polymer linear elasticity, but with a force scale enhanced above that expected from the flexibility of the chain backbone. We discuss recent experiments on single-stranded DNA, chromatin fiber and double-stranded DNA with proteins weakly absorbed along its length which show this effect. Effects of polymer semiflexiblity and torsional stiffness relevant to experiments on proteins binding to dsDNA are analyzed. We finally discuss the competition between electrostatic self-repulsion and folding interactions responsible for the complex elastic response of single-stranded DNA. Received 7 August 2002 and Received in final form 7 March 2003 / Published online: 15 April 2003 RID="a" ID="a"e-mail: jmarko@uic.edu     

Relation between vortex excitation and thermal conductivity in superconductors

Thermal conductivity κ _xx(T) under a field is investigated in d _{x2 - y2}-wave superconductors and isotropic s-wave superconductors by the linear response theory, using a microscopic wave function of the vortex lattice states. To study the origin of the different field dependence of κ_xx(T) between higher and lower temperature regions, we analyze the spatially-resolved thermal conductivity around a vortex at each temperature, which is related to the spectrum of the local density of states. We also discuss the electric conductivity in the same formulation for a comparison. Received 8 December 2001 and Received in final form 20 March 2002 Published online 6 June 2002     

A FT-IR absorption analysis of vibrational properties of water encaged in NaA zeolites: evidence of a “structure maker” role of zeolitic surface

Linear polyisoprenes having dimethylamine end groups were prepared by high vacuum anionic polymerization techniques using 3-dimethylaminopropyllithium as the initiator. The amine group was reacted with 2-cholesteryl-2-oxo-1,3,2-dioxaphospholane to provide polymer chains having end zwitterionic groups chemically connected with cholesterol. The association behavior of these end-functionalized polymers was studied in cyclohexane by low angle laser light scattering, dynamic light scattering, and viscometry. The aggregation numbers, N _w were found to decrease by increasing the molecular weight of the precursor polymer, due to excluded volume repulsions. The ability of cholesterol to form liquid crystal mesophases facilitated the association process leading to higher N _w values. The hydrodynamic behavior of the aggregates was similar to that of star polymers. The dependence of the N _w values on the molecular weight of the base polymer, the polydispersity of the associates and the absence of critical micelle concentration, cmc are compatible with the linear head-packing model. Received 29 April 2002 and Received in final form 13 November 2002 Published online: 11 March 2003     

Electron momentum density in Cu<Subscript>0.9</Subscript>Al<Subscript>0.1</Subscript>

A reconstruction technique based on the solution of the Radon transform in terms of Jacobi polynomials is used to obtain the 3D electron momentum density, ϱ(p), from nine high-resolution Compton profiles (CPs) for a Cu_0.9Al_0.1 disordered alloy single crystal. The method was also applied to theoretical CPs computed within the Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA) first-principles scheme for the same nine orientations of the crystal. The experimental ϱ(p) is in satisfactory agreement with the theoretical ϱ(p), shows most details of the Fermi surface (FS) and exhibits electron correlation effects. We comment on the map of the FS obtained by folding the reconstructed ϱ(p) into the first Brillouin zone, which yields the occupation number density, ϱ(k). A test of the validity of data via a consistency condition (within our reconstruction algorithm) as well as the propagation of experimental noise in the reconstruction of both ϱ(p) and ϱ(k) are investigated. Received: 24 October 2001 / Accepted: 20 January 2002 / Published online: 3 June 2002 RID="*" ID="*"Corresponding author. Fax: +48-71/344-10-29, E-mail: samsel@int.pan.wroc.pl     

Numerical results for ground states of spin glasses on Bethe lattices

The average ground state energy and entropy for ±J spin glasses on Bethe lattices of connectivities k + 1 = 3..., 26 at T = 0 are approximated numerically. To obtain sufficient accuracy for large system sizes (up to n = 2¹²), the Extremal Optimization heuristic is employed which provides high-quality results not only for the ground state energies per spin e_k+1 but also for their entropies s_k+1. The results indicate sizable differences between lattices of even and odd connectivities. The extrapolated ground state energies compare very well with recent one-step replica symmetry breaking calculations. These energies can be scaled for all even connectivities k + 1 to within a fraction of a percent onto a simple functional form, e _{k + 1} = E _SK - (2E _SK + )/, where E _SK = - 0.7633 is the ground state energy for the broken replica symmetry in the Sherrington-Kirkpatrick model. But this form is in conflict with perturbative calculations at large k + 1, which do not distinguish between even and odd connectivities. We also find non-zero entropies per spin s_k+1 at small connectivities. While s_k+1 seems to vanish asymptotically with 1/(k + 1) for even connectivities, it is numerically indistinguishable from zero already for odd k + 1 ≥ 9. Received 9 August 2002 Published online 27 January 2003 RID="a" ID="a"e-mail: sboettc@emory.edu www.physics.emory.edu/faculty/boettcher     

Magnetic properties of the cyclic spincluster Fe6:bicine

The magnetic properties of the cyclic compound [Fe₆(bicine)₆] LiClO₄ ^. 2MeOH are reported. The cluster Fe₆(bicine)₆ forms an antiferromagnetically coupled ring structure of Fe ^III ions. The magnetic susceptibility is measured between 2 and 300 K and yields the exchange coupling of J/k _B = - 27.5±0.5 K. The field dependence of the magnetic moment is studied at 3 and 6 K in magnetic fields up to 5 T. The zero-field splitting of the first excited spin states with S = 2 and 3 are determined by ESR at 94 GHz. The intra-molecular interactions of the Fe ^III ions are analyzed and the on-site anisotropy of the Fe ^III due to the ligand-configuration is determined to d /k _B = - 0.633±0.008K. Received 28 October 2002 / Received in final form 22 February 2003 Published online 20 June 2003 RID="a" ID="a"e-mail: bernd@piobelix.physik.uni-karlsruhe.de     

Evidence for excited states in 95Ag

The first evidence for excited states in ⁹⁵Ag is presented. ⁹⁵Ag is the heaviest T _z = 1/2 nucleus for which gamma-rays have been identified. The reaction ⁴⁰Ca(⁵⁸Ni, 1p2n)⁹⁵Ag was used in the experiment, which resulted in the assignment of three gamma-rays to ⁹⁵Ag. A detector system consisting of the detector arrays Euroball, Neutron Wall and Euclides was used to detect gamma-rays, neutrons and charged particles, respectively. Received: 31 May 2002 / Accepted: 8 July 2002     

Random-phase approximation for the grand-canonical potential of composite fermions in the half-filled lowest Landau level

We reconsider the theory of the half-filled lowest Landau level using the Chern-Simons formulation and study the grand-canonical potential in the random-phase approximation (RPA). Calculating the unperturbed response functions for current- and charge-density exactly, without any expansion with respect to frequency or wave vector, we find that the integral for the ground-state energy converges rapidly (algebraically) at large wave vectors k, but exhibits a logarithmic divergence at small k. This divergence originates in the k^-2 singularity of the Chern-Simons interaction and it is already present in lowest-order perturbation theory. A similar divergence appears in the chemical potential. Beyond the RPA, we identify diagrams for the grand-canonical potential (ladder-type, maximally crossed, or a combination of both) which diverge with powers of the logarithm. We expand our result for the RPA ground-state energy in the strength of the Coulomb interaction. The linear term is finite and its value compares well with numerical simulations of interacting electrons in the lowest Landau level. Received: 19 February 1998 / Revised: 25 March 1998 / Accepted: 17 April 1998     

Vitamin E models

The molecular conformations of shortened molecular models of vitamin E (tocopherol and tocotrienol) and their sulfur and selenium congeners were studied computationally at the DFT level of theory [B3LYP/6-31G(d)]. The sequence of stabilization by the various heteroatoms was found to be the following: O∼Se > S. On the basis of the present structural results it seems that the seleno-congener of vitamin E is a distinct possibility. Received 9 May 2002 / Received in final form 9 July 2002 Published online 13 September 2002     

Off equilibrium dynamics in disordered quantum spin chain

We study the non-equilibrium time evolution of the average transverse magnetisation and end-to-end correlation functions of the random Ising quantum chain. Starting with fully magnetised states, either in the x or z direction, we compute numerically the average quantities. They show similar behaviour to the homogeneous chain, that is an algebraic decay in time toward a stationary state. During the time evolution, the spatial correlations, measured from one end to the other of the chain, are building up and finally at long time they reach a size-dependent constant depending on the distance from criticality. Analytical arguments are given which support the numerical results. Received 11 July 2002 / Received in final form 9 September 2002 Published online 29 October 2002     

Control of bond-selective photochemistry in CH BrCl using adaptive femtosecond pulse shaping

Adaptive femtosecond laser pulse shaping is employed to achieve bond selective photodissociation/photoionization of CH₂ClBr in the gas phase. The photoproduct signal measured in a reflectron time-of-flight mass spectrometer is used as feedback to improve iteratively the spectral phases of the laser pulse via an evolutionary algorithm. We observe an increase of the fission of the stronger versus the weaker carbon halogen bond by 100%. Single parameter control schemes proved unable to achieve bond-selectivity. The complexity of the control problem is addressed by mapping it onto the well-known problem of maximizing second-harmonic generation (SHG). Further spectroscopic results indicate that the control involves manipulation of wave-packet dynamics on the neutral surfaces. Received 21 December 2001 / Received in final form 2 April 2002 Published online 28 June 2002