Propagation and ignition of fast gasless detonation waves of phase or chemical transformation in condensed matter

Fast self sustained waves of chemical or phase transformations, observed in several contexts in condensed matter effectively result in “gasless detonation". The phenomenon is modelled by coupling the reaction diffusion equation, describing chemical or phase transformations, and the wave equation, describing elastic perturbations. The coupling considered in this work involves (i) a dependence of the sound velocity on the chemical (phase) field, and (ii) the destruction of the initial chemical equilibrium when the strain exceeds a critical value (strain induced phase transition). Both the case of an initially unstable state (first order kinetics) and metastable state (second order kinetics) are considered. An exhaustive analytic and numerical study of travelling waves reveals the existence of supersonic modes of transformations. The practically important problem of ignition of fast waves by mechanical perturbation is investigated. With the present model, the critical strain necessary to ignite gasless detonation by local perturbations is determined. Received 18 November 1999     

Detonation type waves in phase (chemical) transformation processes in condensed matter

Fast self sustained waves (autowaves) associated with chemical or phase transformations are observed in many situations in condensed matter. They are governed neither by diffusion of matter or heat (as in combustion processes) nor by a travelling shock wave (as in gaseous detonation). Instead, they result from a coupling between phase transformation and the stress field, and may be classified as gasless detonation autowaves in solids. We propose a simple model to describe these regimes. The model rests on the classical equations of elastic deformations in a 1-dimensional solid bar, with the extra assumption that the phase (chemical) transformation induces a change of the sound velocity. The transformations are assumed to occur through a chain branched mechanism, which starts when the mechanical stress exceeds a given threshold. Our investigation shows that supersonic autowaves exist in this model. In the absence of diffusion (dissipation factor, losses), a continuum of travelling wave solutions is found. In the presence of diffusion, a steady state supersonic wave solution is found, along with a slower wave controlled by diffusion. Received 15 October 1998     

A minimal model for vorticity and gradient banding in complex fluids

A general phenomenological reaction-diffusion model for flow-induced phase transitions in complex fluids is presented. The model consists of an equation of motion for a nonconserved composition variable, coupled to a Newtonian stress relation for the reactant and product species. Multivalued reaction terms allow for different homogeneous phases to coexist with each other, resulting in banded composition and shear rate profiles. The one-dimensional equation of motion is evolved from a random initial state to its final steady state. We find that the system chooses banded states over homogeneous states, depending on the shape of the stress constitutive curve and the magnitude of the diffusion coefficient. Banding in the flow gradient direction under shear rate control is observed for shear-thinning transitions, while banding in the vorticity direction under stress control is observed for shear-thickening transitions. Received 1 April 2001 and Received in final form 16 June 2001     

The short-time critical behaviour of the Ginzburg-Landau model with long-range interaction

The renormalisation group approach is applied to the study of the short-time critical behaviour of the d-dimensional Ginzburg-Landau model with long-range interaction of the form in momentum space. Firstly the system is quenched from a high temperature to the critical temperature and then relaxes to equilibrium within the model A dynamics. The asymptotic scaling laws and the initial slip exponents and of the order parameter and the response function respectively, are calculated to the second order in . Received 9 June 2000 and Received in final form 2 August 2000     

Anomalous scaling in the Zhang model

We apply the moment analysis technique to analyze large scale simulations of the Zhang sandpile model. We find that this model shows different scaling behavior depending on the update mechanism used. With the standard parallel updating, the Zhang model violates the finite-size scaling hypothesis, and it also appears to be incompatible with the more general multifractal scaling form. This makes impossible its affiliation to any one of the known universality classes of sandpile models. With sequential updating, it shows scaling for the size and area distribution. The introduction of stochasticity into the toppling rules of the parallel Zhang model leads to a scaling behavior compatible with the Manna universality class. Received 8 August 2000 and Received in final form 4 October 2000     

Effect of step permeability on step instabilities due to alternation of kinetic coefficients on a growing vicinal face

We study the effect of step permeability on step instabilities on a growing vicinal face. When alternation of kinetic coefficients is taken into account, pairing of steps occurs on the vicinal face. Irrespective of the step permeability, the step pairs are stable for a wandering instability. The bunching of step pairs occurs if the steps are impermeable. The bunch size increases with time as t^β with β=1/2, which does not depend on the form of the repulsive interaction potential between steps. The repulsion influences the relation between the step distance in a bunch and the bunch size. When the repulsive potential ζ with the step distance l is given by ζ∼l^-ν, the average step distance in a bunch decreases as with α=1/(ν+1). The exponents, β and α are the same as those in the bunching induced by the Ehrlich-Schowebel effect in growth.     

Nonlinear-driven instability of dynamical plasma in solids: Emergence of spatially self-organized order and chaotic-like behavior

We analyze in detail the nonlinear kinetics of a carrier system in a photoinjected plasma in semiconductors under the action of constant illumination with ultraviolet light. We show that the spatially homogeneous steady-state becomes unstable, and a charge density wave emerges after a critical intensity of the incident radiation is achieved. It is shown that this instability can only follow in doped p-type materials. In bulk systems the critical intensity was found to be too high making the phenomenon not observable under realistic experimental conditions. However, a more efficient electron excitation can be obtained in low dimensional p-type systems, like some molecular and biological polymers, where the interaction may follow by chemical interaction with the medium. We show that for intensities beyond the critical threshold an increasing number of modes provide further contributions (subharmonics) to the space inhomogeneity. It is conjectured that this process could lead the system to display chaotic-like behavior. Received 8 July 1998 and Received in final form 6 May 1999     

Shear-driven heat flow in absence of a temperature gradient

Jaynesian statistical inference is used to predict that steady, non-uniform Couette flow in a simple liquid will generate a heat flux proportional to the gradient of the square of the strain-rate when the temperature gradient is negligible. The heat flux is divided into phonon and self-diffusion components, with the latter coupling to the elastic strain and inelastic strain-rate. Operators for all these are substituted into the information-theoretic phase-space distribution. By taking moments of an exact equation for this distribution derived by Robertson, one obtains an evolution equation for the self-diffusion component of the heat flux which, in a steady state, predicts shear-driven heat flow. Received 10 September 1998     

Non-commutative geometry and irreversibility

A kinetics built upon q-calculus, the calculus of discrete dilatations, is shown to describe diffusion on a hierarchical lattice. The only observable on this ultrametric space is the “quasi-position” whose eigenvalues are the levels of the hierarchy, corresponding to the volume of phase space available to the system at any given time. Motion along the lattice of quasi-positions is irreversible. Received: 24 June 1997 / Revised: 15 September 1997 / Accepted: 6 October 1997     

Self-assembled fluids with order-parameter-dependent mobility: The large-N limit

The effect of the order-parameter-dependent mobility, , on phase-ordering dynamics of self-assembled fluids is studied analytically within the large-N limit. The study is for quenching from an uncorrelated high temperature state into the Lifshitz line within the microemulsion phase. In the later stage of the ordering process, the structure factor exhibits multiscaling behavior with characteristic length scale The order-parameter-dependent mobility is found to slow down the rate of coarsening.     

Morphological characterization of spinodal decomposition kinetics

The time evolution of the morphology of homogeneous phases during spinodal decomposition is described using a family of morphological measures known as Minkowski functionals. They provide the characteristic length scale L of patterns in a convenient, statistically robust, and computationally inexpensive way. They also allow one to study the scaling behavior of the content, shape, and connectivity of spatial structures and to define the crossover from the early stage decomposition to the late stage domain growth. We observe the scaling behavior with , , and depending on the viscosity of the fluid. When approaching the spinodal density , we recover the prediction for the early time spinodal decomposition. Received 3 March 1998     

Molecular dynamics study of tethered polymers in shear flow

Single macromolecules can now be isolated and characterized experimentally using techniques such as optical tweezers and videomicroscopy. An interesting and important single-molecule problem is that of the dynamics of a polymer chain tethered to a solid surface and subjected to a shear flow. An experimental study of such a system was reported by Doyle et al. (Phys. Rev. Lett. 84, 4769 (2000)), and their results showed a surprising recirculating motion of the DNA chain. We explore this problem using molecular dynamics computer simulations with explicit hydrodynamic interactions. The dynamical properties of a Freely Jointed Chain (FJC) with Finitely Extensible Nonlinear Elastic (FENE) links are examined in similar conditions (i.e., confined between two surfaces and in the presence of a Poiseuille flow). We see the remarkable cyclic polymer motion observed experimentally, and we show that a simple cross-correlation function can be used to measure the corresponding period of motion. We also propose a new empirical equation relating the magnitude of the shear flow to the amount of chain deformation, an equation that appears to apply for both weak and strong flows. Finally, we report on packing effects near the molecularly flat wall, an associated chain-sticking phenomenon, and the impact of the chain hydrodynamic drag on the local fluid flow.     

Reaction-diffusion system with self-organized critical behavior

We describe the construction of a conserved reaction-diffusion system that exhibits self-organized critical (avalanche-like) behavior under the action of a slow addition of particles. The model provides an illustration of the general mechanism to generate self-organized criticality in conserving systems. Extensive simulations in d = 2 and 3 reveal critical exponents compatible with the universality class of the stochastic Manna sandpile model. Received 16 November 2000     

Slow coarsening in a class of driven systems

The coarsening process in a class of driven systems is studied. These systems have previously been shown to exhibit phase separation and slow coarsening in one dimension. We consider generalizations of this class of models to higher dimensions. In particular we study a system of three types of particles that diffuse under local conserving dynamics in two dimensions. Arguments and numerical studies are presented indicating that the coarsening process in any number of dimensions is logarithmically slow in time. A key feature of this behavior is that the interfaces separating the various growing domains are macroscopically smooth (well approximated by a Fermi function). This implies that the coarsening mechanism in one dimension is readily extendible to higher dimensions. Received 3 April 2000     

Non-linear reciprocity in extended thermodynamics from the Robertson formalism

Robertson has found a projection operator which, applied to the Liouville equation, yields an exact equation for , the information-theoretic phase-space distribution. If the Robertson equation is multiplied by a set [0pt]{} of functions representing physical fluxes, odd under momentum reversal and even under configuration inversion, a set of evolution equations is obtained for time-dependent ensemble averages which are variables of extended thermodynamics. In earlier work, a perturbation calculation was developed, assuming just one variable , for an operator [0pt] occurring in the Robertson equation. This calculation is extended here to the case where there are variables. The coefficients in the evolution equations depend on {} and explicitly on time t at short times. It is shown here that these coefficients exhibit Onsager symmetry at long times, after the transient explicit t-dependence has disappeared, to . Received 13 September 1999 and Received in final form 4 April 2000     

Model glasses coupled to two different heat baths

In a p-spin interaction spherical spin-glass model both the spins and the couplings are allowed to change with time. The spins are coupled to a heat bath with temperature T, while the coupling constants are coupled to a bath having temperature T_J. In an adiabatic limit (where relaxation time of the couplings is much larger that of the spins) we construct a generalized two-temperature thermodynamics. It involves entropies of the spins and the coupling constants. The application for spin-glass systems leads to a standard replica theory with a non-vanishing number of replicas, n=T/T _J . For p>2 there occur at low temperatures two different glassy phases, depending on the value of n. The obtained first-order transitions have positive latent heat, and positive discontinuity of the total entropy. This is an essentially non-equilibrium effect. The dynamical phase transition exists only for n<1. For p=2 correlation of the disorder (leading to a non-zero n) removes the known marginal stability of the spin glass phase. If the observation time is very large there occurs no finite-temperature spin glass phase. In this case there are analogies with the non-equilibrium (aging) dynamics. A generalized fluctuation-dissipation relation is derived. Received 12 July 1999 and Received in final form 8 December 1999     

Non-linear evolution of step meander during growth of a vicinal surface with no desorption

Step meandering due to a deterministic morphological instability on vicinal surfaces during growth is studied. We investigate nonlinear dynamics of a step model with asymmetric step kinetics, terrace and line diffusion, by means of a multiscale analysis. We give the detailed derivation of the highly nonlinear evolution equation on which a brief account has been given [6]. Decomposing the model into driving and relaxational contributions, we give a profound explanation to the origin of the unusual divergent scaling of step meander (where F is the incoming atom flux). A careful numerical analysis indicates that a cellular structure arises where plateaus form, as opposed to spike-like structures reported erroneously in reference [6]. As a robust feature, the amplitude of these cells scales as t ^1/2, regardless of the strength of the Ehrlich-Schwoebel effect, or the presence of line diffusion. A simple ansatz allows to describe analytically the asymptotic regime quantitatively. We show also how sub-dominant terms from multiscale analysis account for the loss of up-down symmetry of the cellular structure. Received 4 May 2000 and Received in final form 8 September 2000     

Thermal cycles, interface chemistry and optical performance of Mg/SiC multilayers

The interplay between optical performance and the thermally activated interface chemistry of periodic Mg/SiC multilayers designed for application at 30.4 nm are investigated by optical (hard X-ray, soft X-ray and ultraviolet ranges, i.e. from 0.154 to 30.4 nm) reflectivity and X-ray emission spectroscopy. The multilayers are prepared by magnetron sputtering and then annealed up to a temperature of 500 °C. Two clear changes take place in the multilayer upon annealing. At first, between 200 and 300 °C a strong decrease of the reflectivity is observed, due to the development of interfacial roughness following the crystallization of the Mg layers. No interfacial compound is detected. Then, between 350 and 400 °C there is formation of the Mg₂Si magnesium silicide at the interfaces following the reaction between the Mg and SiC layers. This also leads to the almost total loss of reflectivity of the multilayer. Thus, this kind of multilayer is thermally stable only for application requiring no heating above 200 °C.     

Measuring effective temperatures in out-of-equilibrium driven systems

We introduce and solve a model of a thermometric measurement on a driven glassy system in a stationary state. We show that a thermometer with a sufficiently slow response measures a temperature higher than that of the environment, but that the measured temperature does not usually coincide with the effective temperature related to the violation of the Fluctuation-Dissipation Theorem. Received 25 October 1999     

Metastable states of the Ising chain with Kawasaki dynamics

We consider a ferromagnetic Ising chain evolving under Kawasaki dynamics at zero temperature. We investigate the statistics of the blocking time, as well as various characteristics of the metastable configurations reached by the system, including the statistics of the final energy, the spin correlations, and the distribution of domain sizes. Results of extensive numerical simulations are compared with analytical predictions made for the a priori ensemble of all blocked configurations with equal weights. Qualitative differences are found, e.g. in the domain sizes, which are found to be neither statistically independent nor exponentially distributed. Received 24 October 2002 / Received in final form 13 January 2003 Published online 1st April 2003 RID="a" ID="a"e-mail: luck@spht.saclay.cea.fr RID="b" ID="b"URA 2306 of CNRS