Dynamics of polymeric manifolds in melts: the Hartree approximation

The Martin-Siggia-Rose functional technique and the selfconsistent Hartree approximation is applied to the dynamics of a D-dimensional manifold in a melt of similar manifolds. The generalized Rouse equation is derived and its static and dynamic properties are studied. The static upper critical dimension, d _uc =2D/(2-D), discriminates between Gaussian (or screened) and non-Gaussian regimes, whereas its dynamical counterpart, , discriminates between Rouse- and renormalized-Rouse behavior. The Rouse modes correlation function in a stretched exponential form and the dynamical exponents are calculated explicitly. The special case of linear chains D=1 shows agreement with Monte-Carlo simulations. Received: 22 May 1998 / Received in final form: 31 August 1998 / Accepted: 8 September 1998     

Competing bulk and surface fields in d=2 Ising films near bulk criticality: effects of fluctuations

The two-dimensional Ising films with bulk H and surface H₁ fields of opposite sign are studied above and close to bulk criticality by the density matrix renormalization group method. This technique, applied recently to d=2 Ising films, allows for very accurate results for the adsorption as a function of the reduced deviation from the critical temperature .For strong H₁ three distinct classes of shapes of ,determined by the value of the parameter ,where L is the width of the film, are found in agreement with earlier predictions [A. Macioek, A. Ciach, R. Evans, J. Chem. Phys. 108, 9765 (1998)]. For strong and for weak bulk fields is a monotonic function, increasing for strong H and decreasing for weak H, in agreement with scaling analysis and earlier mean-field results. For H between these extreme cases assumes a maximum for and for a depletion occurs, as in recent experiments for critical adsorption in porous materials. For a limited range of H a qualitatively new behavior of is found. In addition to a maximum, a minimum of for appears, which in the mean-field analysis was absent. Received: 11 February 1998 / Received in final form: 16 February 1998 / Accepted: 17 March 1998     

Flow equations and extended Bogoliubov transformation for the Heisenberg antiferromagnet near the classical limit

The Heisenberg spin-S quantum antiferromagnet is studied near the large-spin limit, applying a new continuous unitary transformation which extends the usual Bogoliubov transformation to higher order in the 1/S-expansion of the Hamiltonian. This allows to diagonalize the bosonic Hamiltonian resulting from the Holstein-Primakoff representation beyond the conventional spin-wave approximation. The zero-temperature flow equations derived from the extension of the Bogoliubov transformation to order for the ground-state energy, the spin-wave velocity, and the staggered magnetization are solved exactly and yield results which are in agreement with those obtained by a perturbative treatment of the magnon interactions. Received: 19 March 1998 / Revised: 2 June 1998 / Accepted: 8 June 1998     

Brownian rotation of classical spins: dynamical equations for non-bilinear spin-environment couplings

Given two strings X and Y of N and M characters respectively, the Longest Common Subsequence (LCS) Problem asks for the longest sequence of (non-contiguous) matches between X and Y. Using extensive Monte-Carlo simulations for this problem, we find a finite size scaling law of the form for the average LCS length of two random strings of size N over S letters. We provide precise estimates of for .We consider also a related Bernoulli Matching model where the different entries of an array are occupied with a match independently with probability 1/S. On the basis of a cavity-like analysis we find that the length of a longest sequence of matches in that case behaves as where r=M/N and . This formula agrees very well with our numerical computations. It provides a very good approximation for the Random String model, the approximation getting more accurate as S increases. The question of the “universality class” of the LCS problem is also considered. Our results for the Bernoulli Matching model show very good agreement with the scaling predictions of [#!HwaLassig96_PRL!#] for Needleman-Wunsch sequence alignment. We find however that the variance of the LCS length has a scaling different from Var in the Random String model, suggesting that long-ranged correlations among the matches are relevant in this model. We finally study the “ground state” properties of this problem. We find that the number of solutions typically grows exponentially with N. In other words, this system does not satisfy “Nernst's principle”. This is also reflected at the level of the overlap between two LCSs chosen at random, which is found to be self averaging and to approach a definite value q _S <1 as . Received: 23 April 1998 / Revised: 30 July 1998 / Accepted: 14 August 1998     

wave superconductivity: Analysis of the electronic Raman data of and other cuprates

After briefly recalling the d + s model valid for some anisotropic high T c superconductors, we present a theory of electronic Raman spectra in that model and then compare it with new experimental data obtained for an overdoped Y123 single crystal. The d + s model appears to describe satisfactorily the experimental results, indicating a possible doping dependence of the mixing ratio. We note that the Raman spectrum of the overdoped Bi2212 could also be accounted for by the d + s superconductivity model. The case of Hg1212 (or Hg1223) is reexamined. It appears that the spontaneous breakdown of d-wave symmetry may be rather universal in high T c cuprates. Received: 3 March 1998 / Accepted: 30 April 1998     

Polymer depletion interaction between a particle and a wall

The attractive depletion interaction between a spherical particle and a planar wall in a dilute solution of long flexible nonadsorbing free polymer chains is found to depend crucially on the particle to polymer size ratio . While the polymer-induced force between particle and wall decreases monotonically with increasing distance for large , for small it has a maximum at a distance of the order of the polymer size. For ideal chains we study the crossover from large to small behavior in full quantitative detail. Besides the free energy of interaction and the force, we also discuss the spatial variations of the densities of chain-ends and chain-monomers near the wall and particle. Two independent procedures, (1) solving directly the diffusion equation for the density of ends in terms of planar and spherical waves and (2) minimizing the Ginzburg-Landau functional of the “magnetic analog” of the polymer problem, are used to obtain results numerically for a broad range of ratios of the three lengths particle size, polymer size and distance of particle from the wall. Besides previously known cases, we find two more interesting limiting regions of the length ratios for which analytical results can be obtained. [2mm] Received 11 December 1998     

Note on electron impact excitation for transition of Be-like isoelectronic sequence

Relativistic distorted-wave method was used to calculate the electron impact excitation collision strengths for transitions 2 s2 ¹ S0-2 s 2 p ³ P1 of Be-like isoelectronic ions. The target states were described, respectively, by 10-level, 46-level and 133-level MCDF configuration-expansion. The relativistic continuum orbitals were calculated in the potential field of frozen target-ion charge distribution with semi-classical exchange potential. The influence of the target states on this collision process along the isoelectronic sequence was investigated in the above three MCDF configuration-expansion modes. It was found that the configurations in the n =3 and the n =4 complexes have great influence on both the high and the low Z ions but the influence is relatively small for intermediate Z ions. The latter phenomenon was attributed to competition between opposing correlation and relativistic effects on the collision strengths. Received: 25 February 1998 / Received in final form: 18 June 1998     

Ground-state geometries and stability of NaMg clusters using ab initio molecular dynamics method

The ground-state geometries, energetics and the stability of ( n =1-12) clusters are studied using ab initio molecular dynamics method. Our results indicate that the ground-state geometries of large clusters () are different from those of clusters where a trivalent impurity Al is added to the same monovalent host Na. Other features observed are an early appearance of 3-dimensional structure and a pentagonal growth path from n =6 up to n =11. As expected, the ground-state geometry of is not an icosahedron but can be viewed as a distorted form of one of the low lying geometries of cluster. In the energetically favored structures impurity atom Mg is never located at the center of the cluster. The stability analysis based on the energetics shows (8 valence electrons) to be the most stable. In addition there is a remarkable even-odd pattern observed in the dissociation energy and the second difference in energy which is absent in earlier studies of and clusters. Received: 16 September 1998 / Received in final form: 15 February 1999     

Tracer dispersion in power law fluids flow through porous media: Evidence of a cross-over from a logarithmic to a power law behaviour

An analytical model is presented to describe the dispersion of tracers in a power-law fluid flowing through a statistically homogeneous and isotropic porous medium. The model is an extension of Saffman's approach to the case of non-Newtonian fluids. It is shown that an effective viscosity depending on the pressure gradient and on the characteristics of the fluid, must be introduced to satisfy Darcy's law. An analytical expression of the longitudinal dispersivity is given as a function of the Peclet number Pe and of the power-law index n that characterizes the dependence of the viscosity on the shear rate . As the flow velocity increases the dispersivity obeys an asymptotic power law: . This asymptotic regime is achieved at moderate Peclet numbers with strongly non-Newtonian fluids and on the contrary at very large values when n goes to 1 ( for n=0.9). This reflects the cross-over from a scaling behaviour for towards a logarithmic behaviour predicted for Newtonian fluids (n=1). Received: 22 July 1997 / Revised and Accepted: 2 July 1998     

Intercombination transition rates in Al-like ions

N =3, intercombination transitions in Al-like ions of Au have been studied by time-resolved EUV spectroscopy of foil-excited ion beams. Wavelengths and lifetimes are compared to the available relativistic calculations. The theoretical data are found to be useful for guidance, but of clearly insufficient precision, in particular for the transition probabilities. Received: 23 February 1998 / Accepted: 5 March 1998     

Vortex lattice accommodation on twin boundaries in studied by neutron diffraction

An extensive study of small angle neutron scattering was performed in twinned YBa₂Cu₃O₇ crystals in its superconducting state as a function of the angle between the c-axis of the crystal and the magnetic field. The half of the twin boundaries are oriented in the horizontal plane, which also contains the neutron beam and the magnetic field. Two different diffraction patterns are studied as a function of at 5 K and B = 0.5 T, one along the c-axis of the crystal, the other one along the applied field. These variations are interpreted in the model of accommodation of the vortices on the twin planes by zigzagging from these planes to the ab-planes of the crystal, in order to minimize their energy. Received: 9 March 1998 / Revised and Accepted: 12 June 1998     

Mixed spin ladders with exotic ground states

We study the “mixed spin” isotropic ladder system having S=1 spins on one leg and S=1/2 spins on the other, with general-type exchange interactions between spins on neighboring rungs. A set of model Hamiltonians with exact ground states in the form of a certain matrix product wave function is obtained. We show that sufficiently strong frustration can lead to exotic singlet ground states with infinite (exponential) degeneracy. We also list a couple of rather simple models with nontrivial ground states, including a model with only bilinear exchange. Received: 2 December 1997 / Accepted: 28 January 1998     

Collapse transitions of a periodic hydrophilic hydrophobic chain

We study a single self avoiding hydrophilic hydrophobic polymer chain, through Monte-Carlo lattice simulations. The affinity of monomer i for water is characterized by a (scalar) charge , and the monomer-water interaction is short-ranged. Assuming incompressibility yields an effective short ranged interaction between monomer pairs (i,j), proportional to . In this article, we take (resp. ()) for hydrophilic (resp. hydrophobic) monomers and consider a chain with (i) an equal number of hydro-philic and -phobic monomers (ii) a periodic distribution of the along the chain, with periodicity 2p. The simulations are done for various chain lengths N, in d=2 (square lattice) and d=3 (cubic lattice). There is a critical value p _c (d,N) of the periodicity, which distinguishes between different low temperature structures. For p >p _c , the ground state corresponds to a macroscopic phase separation between a dense hydrophobic core and hydrophilic loops. For p <p _c (but not too small), one gets a microscopic (finite scale) phase separation, and the ground state corresponds to a chain or network of hydrophobic droplets, coated by hydrophilic monomers. We restrict our study to two extreme cases, and to illustrate the physics of the various phase transitions. A tentative variational approach is also presented. Received: 10 March 1998 / Received in final form: 25 June 1998 / Accepted: 1st July 1998     

Monte-Carlo study of correlations in quantum spin chains at non-zero temperature

Antiferromagnetic Heisenberg spin chains with various spin values (S=1/2,1,3/2,2,5/2) are studied numerically with the quantum Monte-Carlo method. Effective spin S chains are realized by ferromagnetically coupling n=2S antiferromagnetic spin chains with S=1/2. The temperature dependence of the uniform susceptibility, the staggered susceptibility, and the static structure factor peak intensity are computed down to very low temperatures, . The correlation length at each temperature is deduced from numerical measurements of the instantaneous spin-spin correlation function. At high temperatures, very good agreement with exact results for the classical spin chain is obtained independent of the value of S. For the S=2 chain which has a gap , the correlation length and the uniform susceptibility in the temperature range are well predicted by the semi-classical theory of Damle and Sachdev. Received: 23 December 1997 / Revised and Accepted: 11 March 1998     

A new stable organic metal: -(BETS)C(CN). The first -type radical cation salt with a planar-triangular discrete organic anion

The -(BETS)₂C(CN)₃ radical cation salt was prepared by electrocrystallization, and its crystal structure was determined by single crystal X-ray diffraction. The electronic structure of -(BETS)₂C(CN)₃ was studied by means of the extended Hückel tight binding method. The electrical conductivity of this salt as a function of temperature shows a metallic behaviour down to 1.3 K. Shubnikov-de Haas oscillations reveal both the classical and magnetic breakdown orbits on the Fermi surface typical of the -type organic conductors. In addition, a low frequency oscillation (250 T) which is not predicted by the band structure calculations has been found in the oscillation spectrum. Received: 11 March 1998 / Revised: 9 June 1998 / Accepted: 11 June 1998     

Mutual inductance effects in rf driven planar Josephson junctions arrays

In this paper we investigate the behavior of moderate size two-dimensional classical arrays of Josephson junctions in presence of an external oscillating field. We have included in the model the effects due to mutual inductance terms, and we have employed an explicit set of differential equations. We have found that the discretization parameter - i.e. the coupling term due to the inductance of the loops - is the most important parameter to determine the height of the Shapiro steps for a given amplitude and frequency of the rf-bias. The amplitude of the Shapiro steps in the case of zero frustration as a function of the coupling term shows a remarkable minimum for intermediate values when we retain all terms of the full model with mutual inductances, while the limits for very large and very small values of they are the same of the single Josephson junction. For the case of frustration 1/2 the Shapiro step becomes smaller in the rigid limit (i.e., small ) as expected for the XY model, and tends to the limit value of the single junctions for the decoupled case (i.e., large ). Received 9 November 1998 and Received in final form 6 April 1999     

A pseudopotential study of molecular spectroscopy in rare gas matrices: absorption of NO in argon

We present a pseudopotential method to study the absorption spectroscopy of NO in an argon matrix modeled by a large albeit finite cluster. The excited states of NO are described with the virtual orbitals of a NO⁺ Hartree-Fock calculation plus a core-polarization operator to account for the electron-NO⁺ correlation. The argon atoms of the matrix are replaced by pseudopotentials for the repulsive contributions and core-polarization operators to account for matrix polarization and correlation with the excited electron. The model is shown to account for the matrix-induced transition shifts and also for the cut-off of the Rydberg series for n >3 reported in absorption experiments from the ground state. Received: 6 March 1998 / Revised: 1st June 1998 / Accepted: 16 June 1998     

Perturbation theory by flow equations: dimerized and frustrated S = 1/2 chain

The flow equation method (Wegner, 1994) is used as continuous unitary transformation to construct perturbatively effective Hamiltonians. The method is illustrated in detail for dimerized and frustrated antiferromagnetic S =1/2 chains. The effective Hamiltonians conserve the number of elementary excitations which are S =1 magnons for the dimerized chains. The sectors of different number of excitations are clearly separated. Easy-to-use results for the gap, the dispersion and the ground state energies of the chains are provided.     

Finite-size scaling in the theory above the upper critical dimension

We derive exact results for several thermodynamic quantities of the O ( n ) symmetric field theory in the limit in a finite d-dimensional hypercubic geometry with periodic boundary conditions. Corresponding results are derived for an O ( n ) symmetric model on a finite d-dimensional lattice with a finite-range interaction. The leading finite-size effects near T_c of the field-theoretic model are compared with those of the lattice model. For 2 < d < 4, the finite-size scaling functions are verified to be universal. For d > 4, significant lattice effects are found. Finite-size scaling in its usual simple form does not hold for d > 4 but remains valid in a generalized form with two reference lengths. The finite-size scaling functions of the field theory turn out to be nonuniversal whereas those of the lattice model are independent of the nonuniversal model parameters. In particular, the field-theoretic model exhibits finite-size effects whose leading exponents differ from those of the lattice model. The widely accepted lowest-mode approach is shown to fail for both the field-theoretic and the lattice model above four dimensions. Received: 20 October 1997 / Accepted: 5 March 1998     

LiAr, LiKr and LiXe excimers: Photochemical formation of the - bands

We investigated the photochemical formation of lithium-rare-gas excimers in the 3 state through the reaction of Li₂(2(C)) and the ground-state rare-gas atom. Lithium-rare-gas vapor mixture was prepared in the heat-pipe oven. We populated the 2(C)state of the Li₂ molecule using the XeCl excimer laser wavelength at 308 nm or the PTP dye laser wavelength at about 335 nm. The 3-1 transitions were observed with peaks at 414, 420 and 435 nm for LiAr, LiKr and LiXe, respectively. We estimated thermally averaged rate constants for these photochemical reactions, which are cm³s^-1 for LiAr, cm ³ s^-1 for LiKr and cm³s^-1 for LiXe. Ab initio potential-energy curves and transition dipole moments for LiKr were calculated applying the SCF MRDCI method. Available data for the LiAr and LiKr excimers are presented, including potential-energy curves, electronic transition dipole moments, and spectroscopic constants. Possible photochemical formation of these molecules in the excited states is discussed. We performed the quantum-mechanical spectral simulations of the LiAr and LiKr 3-1 transitions, using ab initio potential-energy curves. Received: 2 October 1998 / Received in final form: 25 January 1999