Short-time behavior of the kinetic spherical model with long-ranged interactions

The kinetic spherical model with long-ranged interactions and an arbitrary initial order m₀ quenched from a very high temperature to T is solved. In the short-time regime, the bulk order increases with a power law in both the critical and phase-ordering dynamics. To the latter dynamics, a power law for the relative order is found in the intermediate time-regime. The short-time scaling relations of small m₀ are generalized to an arbitrary m₀ and all the time larger than . The characteristic functions for the scaling of m₀ and for are obtained. The crossover between scaling regimes is discussed in detail. Received 17 September 1999     

Dynamic triggering of a spin-transition by a pulsed magnetic field

We report the first study of the effect of a high pulsed magnetic field on a spin transition complex in the solid state. The high spin fraction was determined by optical reflectivity. Sizeable effects are observed for the well-known spin transition solid Fe(Phen)₂(NCS)₂. In the hysteresis loop temperature range, an increase in the HS fraction is obtained, with an irreversible (reversible) character in the ascending (descending) branch of the loop. The time dependence of the HS fraction provides information on the kinetics of the spin-crossover process at the spin transition. Received 23 February 1999 and Received in final form 8 June 1999     

Martensitic transformations: first-principles calculations combined with molecular-dynamics simulations

Results are presented of first-principles total-energy calculations and molecular-dynamics simulations of structural transformations in magnetic transition metal alloys like Fe_1-xNi_x. While first-principles calculations allow to identify those structures having the lower total energy, molecular-dynamics simulations can be used to trace out the dependence of the transformation on temperature, composition, concentration of defects etc. We have used the method of the semi-empiric embedded-atom potential in the molecular-dynamics simulations which yields remarkable good results for the structural changes. Received: 3 February 1998 / Revised: 4 May 1998 / Accepted: 24 June 1998     

Effect of hydrodynamic flow on kinetics of nematic-isotropic transition in liquid crystals

We investigate kinetics of nematic-isotropic transition by solving the hydrodynamic equations for the nematic tensor order parameter and the fluid velocity in two space dimension (x-y plane). Numerical results indicate that nematic directors tend to align parallel to the x-y plane when hydrodynamic flow is incorporated. Late stage growth exponents, for the correlation length and for the number of topological defects, are not significantly altered by hydrodynamic flow. However, in contrast to the case without flow, the relation holds well, which may indicate the validity of dynamical scaling for the case with hydrodynamic flow. Received: 8 September 1997 / Received in final form: 23 October 1997 /Accepted: 3 November 1997     

Fermionic Ising glasses with BCS pairing interaction. Tricritical behaviour

We have examined the role of the BCS pairing mechanism in the formation of the magnetic moment and henceforth a spin glass (SG) phase by studying a fermionic Sherrington-Kirkpatrick model with a local BCS coupling between the fermions. This model is obtained by using perturbation theory to trace out the conduction electrons degrees of freedom in conventional superconducting alloys. The model is formulated in the path integral formalism where the spin operators are represented by bilinear combinations of Grassmann fields and it reduces to a single site problem that can be solved within the static approximation with a replica symmetric ansatz. We argue that this is a valid procedure for values of temperature above the de Almeida-Thouless instability line. The phase diagram in the T-g plane, where g is the strength of the pairing interaction, for fixed variance J ² /N of the random couplings J_ij, exhibits three regions: a normal paramagnetic (NP) phase, a spin glass (SG) phase and a pairing (PAIR) phase where there is formation of local pairs.The NP and PAIR phases are separated by a second order transition line g=g _c (T) that ends at a tricritical point T ₃ =0.9807J, g ₃ =5,8843J, from where it becomes a first order transition line that meets the line of second order transitions at T _c =0.9570J that separates the NP and the SG phases. For T<T _c the SG phase is separated from the PAIR phase by a line of first order transitions. These results agree qualitatively with experimental data in . Received 14 May 1998     

Critical fluctuations of a binary fluid mixture confined in a porous medium

We have performed small angle neutron scattering experiments on the binary fluid mixture n-C₆H₁₄+n-C₈F₁₈ imbibed inside porous Vycor glass in the thermodynamic region corresponding to the bulk critical one. The resulting structure can be represented as the sum of a temperature dependent Lorentzian term and a term describing the interference between the porous matrix, a shell part richer in one component coating the glass surface, and a core part richer in the other component. We observe critical fluctuations extending over distances markedly larger than the mean pore size. Received 20 May 1999     

3d D lifetime in laser cooled Ca : Influence of cooling laser power

We have measured the lifetime of the metastable 3D _5/2 level in Ca⁺ using the “quantum jump" technique on a single stored and laser cooled ion in a linear Paul trap. We found a linear dependence of the measured decay rate on the power of the laser which repumps the ions from the long lived 3D _3/2 level. This can be explained by off-resonant depletion of the 3D _5/2 level. The proper lifetime of this level is obtained by a linear extrapolation of the measured lifetime to zero laser power. We obtain 1100(18) ms in agreement with theoretical calculations. The observed systematic change of the decay rate resolves discrepancies between earlier experiments in which this effect had not been considered. Measurements on a linear chain of 10 laser cooled ions showed unexpected frequent coincidences of quantum jumps within our observation time of 20 ms. This indicates a so far unexplained correlation between the ions in the chain at large distances. Received 3 March 1999     

Interfacial reaction kinetics

We study irreversible A-B reaction kinetics at a fixed interface separating two immiscible bulk phases, A and B. Coupled equations are derived for the hierarchy of many-body correlation functions. Postulating physically motivated bounds, closed equations result without the need for ad hoc decoupling approximations. We consider general dynamical exponent z, where is the rms diffusion distance after time t. At short times the number of reactions per unit area, , is 2nd order in the far-field reactant densities . For spatial dimensions dabove a critical value , simple mean field (MF) kinetics pertain, where Q_b is the local reactivity. For low dimensions , this MF regime is followed by 2nd order diffusion controlled (DC) kinetics, , provided . Logarithmic corrections arise in marginal cases. At long times, a cross-over to 1st order DC kinetics occurs: . A density depletion hole grows on the more dilute A side. In the symmetric case (), when the long time decay of the interfacial reactant density, , is determined by fluctuations in the initial reactant distribution, giving . Correspondingly, A-rich and B-rich regions develop at the interface analogously to the segregation effects established by other authors for the bulk reaction . For fluctuations are unimportant: local mean field theory applies at the interface (joint density distribution approximating the product of A and B densities) and . We apply our results to simple molecules (Fickian diffusion, z=2) and to several models of short-time polymer diffusion (z>2). Received 8 June 1998 and Received in final form 10 September 1999     

Submillimeter and infrared spectroscopy on La0.85Sr0.15MnO3

The optical conductivity of La_0.85Sr_0.15MnO₃ single crystals was studied by means of submillimeter and infrared spectroscopy for frequencies cm^-1 and temperatures 10 K < T <300 K. The submillimeter conductivity follows the temperature dependence of the dc-data. The phonon spectrum of La_0.85Sr_0.15MnO₃ changes considerably below K revealing a structural phase transition induced by charge or orbital order. At T =10 K a number of phonon modes can be identified in addition to the room-temperature spectrum. The optical conductivity () in the mid-infrared reveals the characteristics of small polaron absorption. Below the magnetic ordering temperature the polaron binding energy is highly reduced, but the onset of charge order interrupts the formation of free charge carriers with a Drude-like behavior. The frequency and temperature dependence of in this regime qualitatively resembles the small polaron predictions by Millis et al. (Phys. Rev. B 54, 5405 (1996)). Received 5 November 1999     

Transport and thermodynamic properties of CeAuAl3

We present measurements of the specific heat, the electrical resistivity, the Hall effect, and the magnetic susceptibility of CeAuAl₃, a new heavy-electron compound that crystallizes in an ordered derivative of the tetragonal BaAl₄-type structure. For comparison we have also done some of these measurements on the isostructural non-magnetic reference compound LaAuAl₃, which appears to be a simple metal. Below K, CeAuAl₃ orders antiferromagnetically and below 1K, we encounter Fermi liquid behaviour with considerably enhanced effective masses, i.e., a quadratic temperature dependence of the resistivity with a large prefactor and a sizable linear-in-T contribution to the specific heat. This linear-in-T contribution increases by more than a factor 50 from its value at to its value at . Consequently CeAuAl₃ develops a heavy-electron ground state, coexisting with antiferromagnetic order. The small energy scales involved in the problem make CeAuAl₃ a good candidate for tuning it, by varying external parameters, towards a quantum critical point. At high temperatures we observe local moment behaviour. From the temperature dependence of the magnetic susceptibility and the specific heat we have derived the crystalline-electric-field-split level scheme of the J =5/2 multiplet. Distinct features in the electrical resistivity provide additional evidence for this level splitting. Received: 6 November 1997 / Accepted: 17 November 1997     

Non-partial-wave Coulomb-Born theory for the excitation of many-electron atomic ions II: Numerical description and application

A non-partial-wave Coulomb-Born theory is recently formulated to treat the excitation of many-electron atomic ions for impact by an arbitrary charged particle [Y.B. Duan et al., Phys. Rev. A 56, 2431 (1997)]. The multiple expansion of the transition matrix element is decomposed into the target form factor and the projectile form factor. These are the matrix elements of the tensor operators between quantum states so that any complicated wave function for the target ion can be employed. In this formal theory, an infinitesimally small positive quantity is introduced artificially to guarantee the convergence of integrals. As a supplementary part of the theory, we discuss how to choose the value of . It is found that the should be taken as functions of the momentum transfer and multipolarity . Illustrations are carried out by calculating the cross-sections for some typical transitions n _a l _a -n _b l _b of hydrogen-like ions for impact by electron, positron, and proton, respectively. The resulting cross-sections are in good agreement with ones produced by using a method available for ion targets with Slater-type orbitals [N.C. Deb, N.C. Sil, Phys. Rev. A 28, 2806 (1993)]. Comparisons demonstrate that the Coulomb-Born theory with non-partial wave analysis provides a powerful method to treat the excitation of many-electron atomic ions impact by an arbitrary charged particle. Received 6 April 1999     

Ab initio molecular dynamics study on Ag (n = 4, 5, 6)

Ab initio Molecular Dynamics (MD) method, based on density functional theory (DFT) with planewaves and pseudopotentials, was used to study the stability and internal motion in silver cluster Ag_n, with n =4-6. Calculations on the neutral, cationic and anionic silver dimer Ag₂ show that the bond distance and vibrational frequency calculated by DFT are of good quality. Simulations of Ag₄, Ag₅, and Ag₆ in canonical ensemble reveal distinct characteristics and isomerization paths for each cluster. At a temperature of 800 K, an Ag₄ has no definite structure due to internal motion, while for Ag₅ and Ag₆the clusters maintain the planar structure, with atomic rearrangement observed for Ag₅ but not for Ag₆. At a temperature of 200 K, Ag₄ can exist in two planar structures whilst Ag₅ is found to be stable only in the planar form. In contrast Ag₆ is stable in both planar trigonal and 3D pentagonal structures. Micro-canonical MD simulation was performed for all three clusters to obtain the vibrational density of states (DOS). Received 5 May 1999 and Received in final form 20 August 1999     

Percolation with constraints in the highly polarizable oxide KTaO<Subscript>3</Subscript>:Li

Experimental data on the temperature and electric field dependence of the Second Harmonic Generation Intensity in the solid solution KTaO₃:Li is analyzed in the framework of a new percolation-type approach which considers the history of cluster formation averaged over a large number of samples. In order to take into account that two cluster dipole moments turn when joining clusters together, a constraint is imposed on the cluster growth. This constraint leads to cluster-size saturation just after the percolation threshold. Owing to this circumstance, the connected cluster coexists with free clusters in some range of the impurity concentration and temperature. There is qualitative agreement between the computational results and experiments on Second Harmonic Generation intensities. The algorithm was written in C++ which allowed realistic computations to be performed on a standard PC. Received 26 August 1999 and Received in final form 27 December 1999     

TA1[110] phonon dispersion and martensitic phase transition in ordered alloys Fe3Pt

In a previous neutron scattering study, we had observed that the TA phonon softening in L1₂-ordered ferromagnetic Fe₇₂Pt₂₈ Invar is pronounced at the zone boundary M-point and leads to an antiferrodistortive phase transition at low temperatures. Here, we report on similar neutron scattering investigations on two ordered crystals with higher Fe content to investigate the relation between the TA phonon softening and the martensitic transformation, which occurs in Fe-rich ordered Fe-Pt. We find that the TA phonon softening, especially at the M-point zone boundary, does not depend on the composition of the investigated crystals. In Fe_74.5Pt_25.5, however, the antiferrodistortive phase transition temperature is enhanced due to tetragonal strain preceding the martensitic transition. In Fe₇₇Pt₂₃ a precursor driven premartensitic phase transition is not observed. The structure of the martensite is, however, influenced by the soft mode lattice instability of the austenite. This would explain the origin of structural details found previously for Fe₃Pt thermoelastic martensite. Received 18 January 1999 and Received in final form 11 March 1999     

On the 240 K anomaly in the magnetic properties of LiNiO2

In this work, results of X-band ESR spectroscopy, ac-magnetic susceptibility and X-ray powder diffraction measurements on Li_1-xNi _1+x O₂ (x = 0.02 and x = 0.07) are presented and discussed. While the susceptibility of the compound with x = 0.02 is shown to follow a Curie-Weiss law, with a Weiss temperature of the order of 30 K, the compound with x = 0.07 is found to order ferromagnetically below K. However, an additional anomaly is observed in the magnetic properties of this latter compound at around 240 K. We attribute this anomaly to the presence of macroscopic Ni-rich regions which order ferrimagnetically below this temperature. This phenomenon is different from the bulk ferromagnetism that occurs at much lower temperatures, and allows us to discard earlier suggestions proposed in the literature in which the 240 K anomaly has been considered as denoting an intrinsic phenomenon. Received 14 May 1999 and Received in final form 5 August 1999     

Reaction kinetics in polymer melts

We study the reaction kinetics of end-functionalized polymer chains dispersed in an unreactive polymer melt. Starting from an infinite hierarchy of coupled equations for many-chain correlation functions, a closed equation is derived for the 2nd order rate constant k after postulating simple physical bounds. Our results generalize previous 2-chain treatments (valid in dilute reactants limit) by Doi [#!doi:inter2!#], de Gennes [#!gennes:polreactionsiandii!#], and Friedman and O'Shaughnessy [#!ben:interdil_all_aip!#], to arbitrary initial reactive group density n₀ and local chemical reactivity Q. Simple mean field (MF) kinetics apply at short times, .For high Q, a transition occurs to diffusion-controlled (DC) kinetics with (where x_t is rms monomer displacement in time t) leading to a density decay . If n₀ exceeds the chain overlap threshold, this behavior is followed by a regime where during which k has the same power law dependence in time, , but possibly different numerical coefficient. For unentangled melts this gives while for entangled cases one or more of the successive regimes ,t ^-3/8 and t ^-3/4 may be realized depending on the magnitudes of Q and n₀. Kinetics at times longer than the longest polymer relaxation time are always MF. If a DC regime has developed before then the long time rate constant is where R is the coil radius. We propose measuring the above kinetics in a model experiment where radical end groups are generated by photolysis. Received: 2 June 1998 / Revised: 9 July 1998 / Accepted: 10 July 1998     

Flow birefringence and stress optical law of viscoelastic solutions of cationic surfactants and sodium salicylate

The optical and rheological properties of different viscoelastic solutions of surfactant are studied in order to gather experimental data used to calculate the value of the stress optical coefficient C. Three surfactants of the same family (CTAB) have been chosen; they differ by the length of the hydrocarbon chain; it concerns the dodecyltrimethylammonium bromide (C₁₅H₃₄BrN or DoTAB), the myristyltrimethylammonium bromide (C₁₇H₃₈BrN or MyTAB), and the hexadecyltrimethylammonium bromide (C₁₉H₄₂BrN or CTAB). Different parameters like the temperature of the solution and the salinity of the solvent have been made to vary. Flow birefringence experiments and rheological measurements are performed on these solutions in order to study the dependence of the extinction angle , of the birefringence intensity and of the shear stress with the shear rate . These data are used to check the stress optical law which turns out to be valid in a wide range of shear rates. The stress optical coefficient C is then computed: it is found to vary with the salinity of the solvent and the temperature of the solution for a given surfactant. Then, for all solutions of this work the variations of C are related to the variations of the polarizability anisotropy and the persistence length. Received: 18 February 1998 / Revised: 23 June 1998 / Accepted: 22 July 1998     

Effect of topological thresholds on thermal behaviour of germanium telluride glasses containing metallic additive

Differential Scanning Calorimetric (DSC) studies on Ag_xGe₁₅Te_85-x glasses have been undertaken over a wide range of compositions, to understand the effect of topological thresholds on thermal properties. It is found that the compositional dependence of glass transition temperature (T _g ), crystallization temperature (T _c ), activation energy for crystallization and thermal stability show anomalies at the rigidity percolation threshold. Unusual variations also observed in different thermal properties at the composition x = 20, clearly establishes the occurrence of chemical threshold in these glasses. Received: 27 January 1998 / Revised: 12 June 1998 / Accepted: 3 July 1998     

Fragmentation of CO+ molecular ion through dissociative excited states produced by swift multicharged heavy ion impact on CO molecules

We report the observation of resonances in the intensity correlation spectra of a 3D rubidium optical lattice, which we attribute to light scattering from propagating atomic density fluctuations in the lattice. This process is the spontaneous analog of the stimulated scattering mechanism recently described by Courtois et al.. We investigate the dependence of the new resonances on the lattice angle and show that they disappear for large angles, thus resolving previous discrepancies on the subject. Received: 30 January 1997 / Accepted: 9 October 1997