LOCV calculation for the uniform electron fluid at finite temperature

The free energy of the homogeneous electron fluid at finite temperature is obtained using the lowest order constrained variational (LOCV) method. In order to test the convergence of cluster expansion series the three-body cluster terms are calculated with the LOCV correlation functions. The results agree reasonably with those of Monte Carlo, coupled-cluster, perturbational expansion etc, techniques at zero temperature. The flashing and critical temperatures as well as the critical exponent are found to be about 0.6, 1.3 eV and 0.384 respectively. A similar liquid-gas phase transition to that of nuclear matter and liquid He³ is observed. Received 15 April 2002 / Received in final form 19 October 2002 Published online 4 February 2003 RID="a" ID="a"e-mail: modarres@khayam.ut.ac.ir     

Secondary super-structures in random copolymers

Secondary domain superstructures in correlated random block copolymers are considered theoretically using the concept of the second order parameter related to fluctuations of the local mean block length. It is shown that the size of secondary domains, , is much larger than the primary domain size, L: , while , where is a small parameter defining the composition asymmetry. Different secondary morphologies are characterized. It is also shown that separation of the system in two macroscopic phases with different primary morphologies predicted earlier using the free energy expansion up to ( is the usual order parameter related to local composition) is an artifact of this widely accepted theoretical model. Received 15 July 1998 and Received in final form 18 January 1999     

Free energy of semiflexible polymers and structure of interfaces

The free energy of semiflexible polymers is calculated as a functional of the compositional scalar order parameter and the orientational order parameter of second-rank tensor S_ij on the basis of a microscopic model of wormlike chains with variable segment lengths. We use a density functional theory and a gradient expansion to evaluate the entropic part of the free energy, which is given in a power series of .The interaction term of the free energy is derived with a random phase approximation. For the rigid rod limit, the nematic-isotropic transition point is given by , N and w being the degree of polymerization and the anisotropic interaction parameter, respectively, and the degree of ordering at the transition point is 0.33448. We also find that the contour length of polymer chains becomes larger in a nematic phase than in an isotropic phase. Interface profiles are obtained numerically for some typical cases. In the neighborhood of isotropic-isotropic interfaces, polymer chains tend to align parallel to the interface on the polymer-rich side and perpendicular on the poor side. When an isotropic region and a nematic region coexist, orientational order parallel to the interface is preferred in the nematic region. Received: 28 May 1998 / Revised: 12 August 1998 / Accepted: 8 September 1998     

From molecular flexibility to shape, curvature and thermotropic transitions in pure surfaces

A material surface of pure constituents with a flexible molecular chain (amphiphilics) is considered; thermodynamic behaviour is studied in the chain length-temperature plane. The Hamiltonian of the system is modelled as the sum of a formation term which refers to the polymer nature of the chain, and of a fluctuation term with a specific elastic form. For closed systems the model exhibits phases with uniform curvature and conformational order/disorder or, alternatively, modulated phases; a critical chain length is found for the existence of modulated phases; the dependence of transition temperature on energy parameters is determined. A critical region is found for open systems, where conformational disorder drives spontaneous generation of curvature; this lies above a characteristic chain length and around the shape transition temperature. Received: 13 November 1996 / Revised: 9 May 1997 / Received in final form: 4 November 1997 / Accepted: 10 November 1997     

Design, simulation and application of phase plates

In this paper we analyze the use of phase plates to obtain homogeneous laser intensity profiles. We studied the dependence of intensity distribution on phase plates characteristics, we obtained analytical solution for the intensity profile in the focal plane for plane waves and developed a numerical simulator to calculate the intensity distribution with a generic initial beam and at any propagation plane. We defined criteria to evaluate the quality of profiles produced by different phase plates. Finally we compared experimental results obtained at the Max-Planck Institut für Quantenoptik of Garching with our numerical simulations. Received 23 July 2001 and Received in final form 8 January 2002     

Ginzburg-Landau theory and effects of pressure on a two-band superconductor: application to MgB <Emphasis Type="Bold">2</Emphasis>

We present a model of pressure effects of a two-band superconductor based on a Ginzburg-Landau free energy with two order parameters. The parameters of the theory are pressure as well as temperature dependent. New pressure effects emerge as a result of the competition between the two bands. The theory then is applied to MgB₂. We identify two possible scenaria regarding the fate of the two σ subbands under pressure, depending on whether or not both subbands are above the Fermi energy at ambient pressure. The splitting of the two subbands is probably caused by the E_2g distortion. If only one subband is above the Fermi energy at ambient pressure (scenario I), application of pressure diminishes the splitting and it is possible that the lower subband participates in the superconductivity. The corresponding crossover pressure and Gr neisen parameter are estimated. In the second scenario both bands start above the Fermi energy and they move below it, either by pressure or via the substitution of Mg by Al. In both scenaria, the possibility of electronical topological transition is emphasized. Experimental signatures of both scenaria are presented and existing experiments are discussed in the light of the different physical pictures. Received 3 September 2002 / Received in final form 16 December 2002 Published online 14 February 2003 RID="a" ID="a"e-mail: joseph.betouras@ua.ac.be RID="b" ID="b"On leave from N.S. Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences, 31 Leninskii prospekt, 117915, Moscow, Russia     

Quantum computational gates with radiation free couplings

We examine a generic three level mechanism of quantum computation in which all fundamental single and double qubit quantum logic gates are operating under the effect of adiabatically controllable static (radiation free) bias couplings between the states. Under the time evolution imposed by these bias couplings the quantum state cycles between the two degenerate levels in the ground state and the quantum gates are realized by changing Hamiltonian at certain time intervals when the system collapses to a two state subspace. We propose a physical implementation of the mechanism using Aharonov-Bohm persistent-current loops in crossed electric and magnetic fields, with the output of the loop read out by using a quantum Hall effect aided mechanism. Received 26 March 2002 / Received in final form 8 July 2002 Published online 19 November 2002     

SCDA for 3D lattice gases with repulsive interaction

The selfconsistent diagram approximation (SCDA) is generalized for three-dimensional lattice gases with nearest neighbor repulsive interactions. The free energy is represented in a closed form through elementary functions. Thermodynamical (phase diagrams, chemical potential and mean square fluctuations), structural (order parameter, distribution functions) as well as diffusional characteristics are investigated. The calculation results are compared with the Monte Carlo simulation data to demonstrate high precision of the SCDA in reproducing the equilibrium lattice gas characteristics. It is shown that similarly to two-dimensional systems the specific statistical memory effects strongly influence the lattice gas diffusion in the ordered states. Received 7 August 2002 / Received in final form 22 January 2003 Published online 24 April 2003     

Coloured noise influence on system evolution

Within the power-law approach for noise amplitude dependence on stochastic variables, we present a picture of noise-induced transitions in systems affected by coloured multiplicative noise. The governed equations for main statistical moments are obtained and investigated in detail. We show that a reentrant noise-induced transition is realized within a window of the control parameter. Received 15 October 2001 / Received in final form 8 July 2002 Published online 17 September 2002     

Condensation and metastability in the 2D Potts model

For the first order transition of the Ising model below , Isakov has proven that the free energy possesses an essential singularity in the applied field. Such a singularity in the control parameter, anticipated by condensation theory, is believed to be a generic feature of first order transitions, but too weak to be observable. We study these issues for the temperature driven transition of the q states 2D Potts model at . Adapting the droplet model to this case, we relate its parameters to the critical properties at and confront the free energy to the many informations brought by previous works. The essential singularity predicted at the transition temperature leads to observable effects in numerical data. On a finite lattice, a metastability domain of temperatures is identified, which shrinks to zero in the thermodynamical limit. Received 30 March 1999     

Phase transitions in lyotropic nematic gels

In this paper, we discuss the equilibrium phases and collapse transitions of a lyotropic nematic gel immersed in an isotropic solvent. A nematic gel consists of a cross-linked polymer network with rod-like molecules embedded in it. Upon decreasing the quality of the solvent, we find that a lyotropic nematic gel undergoes a discontinuous volume change accompanied by an isotropic-nematic transition. We also present phase diagrams that these systems may exhibit. In particular, we show that coexistence of two isotropic phases, of two nematic phases, or of an isotropic and a nematic phase can occur. Received 15 February 2002 and Received in final form 14 June 2002     

Colloidal interactions in two-dimensional nematics

The interaction between two disks immersed in a 2D nematic is investigated i) analytically using the tensor order parameter formalism for the nematic configuration around isolated disks and ii) numerically using finite-element methods with adaptive meshing to minimize the corresponding Landau-de Gennes free energy. For strong homeotropic anchoring, each disk generates a pair of defects with one-half topological charge responsible for the 2D quadrupolar interaction between the disks at large distances. At short distance, the position of the defects may change, leading to unexpected complex interactions with the quadrupolar repulsive interactions becoming attractive. This short-range attraction in all directions is still anisotropic. As the distance between the disks decreases, their preferred relative orientation with respect to the far-field nematic director changes from oblique to perpendicular. Received 1 October 2002 and Received in final form 12 November 2002 RID="a" ID="a"e-mail: miko@cii.fc.ul.pt     

Elastica hypoarealis

We examine the equilibria of a rigid loop in the plane, characterized by an energy functional quadratic in the curvature, subject to the constraints of fixed length and fixed enclosed area. Whereas the only non self-intersecting equilibrium corresponding to the fixed length constraint is the circle, the area constraint gives rise to distinct equilibria labeled by an integer. These configurations exhibit self-intersections and bifurcations as the area is reduced. In addition, not only can the Euler-Lagrange equation be integrated to provide a quadrature for the curvature but the embedding itself can be expressed as a local function of the curvature. Perturbations connecting equilibria are shown to satisfy a first order ODE which is readily solved. Analytical expressions for the energy as a function of the area are obtained in the limiting regimes. Received 18 October 2001 / Received in final form 31 May 2002 Published online 2 October 2002 RID="a" ID="a"e-mail: capo@fis.cinvestav.mx RID="b" ID="b"e-mail: chryss@nuclecu.unam.mx RID="c" ID="c"e-mail: jemal@nuclecu.unam.mx     

Localization-delocalization transition in one-dimensional system with long-range correlated diagonal disorder

We show that the electronic states in a one-dimensional (1D) Anderson model of diagonal disorder with long-range correlation proposed by de Moura and Lyra exhibit localization-delocalization phase transition in varying the energy of electrons. Using transfer matrix method, we calculate the average resistivity and investigate how it changes with the size of the system N. For given value of α (> 2) we find critical energies E_c1 and E_c2 such that the resistivity decreases with N as a power law ∝ N ^{- γ} for electron energies within the range of [E _c1, E _c2], and exponentially grows with N outside this range. Such behaviors persist in approaching the transition points and the exponent γ is in the range from 0.92 to 0.96. The origin of the delocalization in this 1D model is discussed. Received 18 December 2001 / Received in final form 2 May 2002 Published online 14 October 2002 RID="a" ID="a"e-mail: sjxiong@nju.edu.cn     

Twist free energy

One may impose to a system with spontaneous broken symmetry, boundary conditions which correspond to different pure states at two ends of a sample. For a discrete Ising-like broken symmetry, boundary conditions with opposite spins in two parallel limiting planes, generate an interface and a cost in free energy per unit area of the interface. For continuum symmetries the order parameter interpolates smoothly between the end planes carrying two different directions of the order parameter. The cost in free energy is then proportional to L^d-2 for a system of characteristic size L. The power of L is related to the lower critical dimension, and the coefficient of this additional free energy vanishes at the critical temperature. In this note it is shown within a loop expansion that one does find the expected behavior of this twist free energy. This is a preamble to the study of situations where the broken continuum symmetry is believed to be more complex, as in Parisi ansatz for the Edwards-Anderson spin glass. Received 11 June 2001     

A simple model of DNA denaturation and mutually avoiding walks statistics

Recently Garel, Monthus and Orland [Europhys. Lett. 55, 132 (2001)] considered a model of DNA denaturation in which excluded volume effects within each strand are neglected, while mutual avoidance is included. Using an approximate scheme they found a first order denaturation. We show that a first order transition for this model follows from exact results for the statistics of two mutually avoiding random walks, whose reunion exponent is c > 2, both in two and three dimensions. Analytical estimates of c due to the interactions with other denaturated loops, as well as numerical calculations, indicate that the transition is even sharper than in models where excluded volume effects are fully incorporated. The probability distribution of distances between homologous base pairs decays as a power law at the transition. Received 8 July 2002 / Received in final form 25 July 2002 Published online 17 September 2002     

Thermodynamics of ionization and dissociation in hydrogen plasmas including fluctuations and magnetic fields

Applying Gibb's geometrical methods to the thermodynamics of H-plasmas we explore the landscape of the free energy as a function of the degrees of ionization and dissociation. Several approximations for the free energy are discussed. We show that in the region of partial ionization/dissociation the quantum Debye-Hückel approximation (QDHA) yields a rather good but still simple representation which allows to include magnetic field and fluctuation effects. By using relations of Onsager-Landau-type the probability of fluctuations and ionization/dissociation processes are described. We show that the degrees of ionization/dissociation are probabilistic quantities which are subject to a relatively large dispersion. Magnetic field effects are studied. Received 10 September 2002 / Received in final form 26 November 2002 Published online 11 February 2003     

Analyzing fragmentation of simple fluids with percolation theory

We show that the size distributions of fragments created by high energy nuclear collisions are remarkably well reproduced within the framework of a parameter free percolation model. We discuss two possible scenarios to explain this agreement and suggest that percolation could be an universal mechanism to explain the fragmentation of simple fluids. Experiments with atomic clusters would help to confirm this hypothesis. Received 26 October 1999 and Received in final form 4 January 2000     

Electronic structure calculations of Fe-rich ordered and disordered Fe-Al alloys

Tight Binding Linear Muffin-Tin Orbital (TB-LMTO) electronic calculations are presented for the magnetic and structural properties of ordered and disordered FeAl alloys. The total energy, bulk modulus, lattice parameter and magnetic moments of B2, D03 and B32 ordered structures and A2 disordered structure were calculated for different compositions. The different structures are obtained by varying the position of Fe and Al atoms in a BCC superstructure. In this way, we examine the order-disorder transition that takes place in these alloys. Disordered alloys present both larger Fe magnetic moment and lattice parameter than ordered ones. In this work comparison of the calculated quantities with available experimental results is provided and it can be concluded that the results are in quantitative agreement with the experimental trends. Received 7 May 2002 / Received in final form 20 September 2002 Published online 4 February 2003 RID="a" ID="a"e-mail: eaf@we.lc.ehu.es