A pseudo-spectral approach to inverse problems in interface dynamics

An improved scheme for computing coupling parameters of the Kardar-Parisi-Zhang equation from a collection of successive interface profiles, is presented. The approach hinges on a spectral representation of this equation. An appropriate discretization based on a Fourier representation, is discussed as a by-product of the above scheme. Our method is first tested on profiles generated by a one-dimensional Kardar-Parisi-Zhang equation where it is shown to reproduce the input parameters very accurately. When applied to microscopic models of growth, it provides the values of the coupling parameters associated with the corresponding continuum equations. This technique favorably compares with previous methods based on real space schemes.Comment: 12 pages, 9 figures, revtex 3.0 with epsf style, to appear in Phys. Rev.

Local orientational ordering in fluids of spherical molecules with dipolar-like anisotropic adhesion

We discuss some interesting physical features stemming from our previous analytical study of a simple model of a fluid with dipolar-like interactions of very short range in addition to the usual isotropic Baxter potential for adhesive spheres. While the isotropic part is found to rule the global structural and thermodynamical equilibrium properties of the fluid, the weaker anisotropic part gives rise to an interesting short-range local ordering of nearly spherical condensation clusters, containing short portions of chains having nose-to-tail parallel alignment which runs antiparallel to adjacent similar chains.Comment: 13 pages and 6 figure

Structure and phase behavior of colloidal dumbbells with tunable attractive interactions

We investigate thermodynamic and structural properties of colloidal dumbbells in the framework provided by the Reference Interaction Site Model (RISM) theory of molecular fluids and Monte Carlo simulations. We consider two different models: in the first one we set identical square-well attractions on the two tangent spheres composing the molecule (SW-SW model); in the second scheme, one of square-well interactions is switched off (HS-SW model). Appreciable differences emerge between the physical properties of the two models. Specifically, the $k \to 0$ behavior of SW-SW structure factors $S(k)$ points to the presence of a gas-liquid coexistence, as confirmed by subsequent fluid phase equilibria calculations. Conversely, the HS-SW $S(k)$ develops a low-$k$ peak, signaling the presence of aggregates; such a process destabilizes the gas-liquid phase separation, promoting at low temperatures the formation of a cluster phase, whose structure depends on the system density. We further investigate such differences by studying the phase behavior of a series of intermediate models, obtained from the original SW-SW by progressively reducing the depth of one square-well interaction. RISM structural predictions positively reproduce the simulation data, including the rise of $S(k \to 0$) in the SW-SW model and the low-$k$ peak in the HS-SW structure factor. As for the phase behavior, RISM agrees with Monte Carlo simulations in predicting a gas-liquid coexistence for the SW-SW model (though the critical parameters appears overestimated by the theory) and its progressive disappearance moving toward the HS-SW model.Comment: 12 pages, 13 figures, 1 table, 78 reference

Phase diagram and structural properties of a simple model for one-patch particles

We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are hard spheres, each of which carries a single identical, arbitrarily-oriented, attractive circular patch on its surface; two spheres attract via a simple square-well potential only if the two patches on the spheres face each other within a specific angular range dictated by the size of the patch. For a ratio of attractive to repulsive surface of 0.8, we construct the RHNC fluid-fluid separation curve and compare with that obtained by Gibbs ensemble and grand canonical Monte Carlo simulations. We find that RHNC provides a quick and highly reliable estimate for the position of the fluid-fluid critical line. In addition, it gives a detailed (though approximate) description of all structural properties and their dependence on patch size.Comment: 27 pages, 10 figures, J. Chem. Phys. in pres

Thermal stability and long term hydrogen/deuterium release from soft to hard amorphous carbon layers analyzed using in-situ Raman spectroscopy. Comparison with Tore Supra deposits

The thermal stability of 200 nm thick plasma enhanced chemical vapor deposited a-C:H and a-C:D layers ranging from soft to hard layers has been studied and compared to that of deposits collected on the Tore Supra tokamak plasma facing components by means of in-situ Raman spectroscopy. Linear ramp heating and long term isotherms (from several minutes to 21 days) have been performed and correlations between spectrometric parameters have been found. The information obtained on the sp 2 clustering has been investigated by comparing the G band shift and the 514 nm photon absorption evolution due to the thermal treatment of the layer. The effects of isotopic substitution have also been investigated.Comment: appears in Thin Solid Films, Elsevier, 201

A pseudo-spectral method for the Kardar-Parisi-Zhang equation

We discuss a numerical scheme to solve the continuum Kardar-Parisi-Zhang equation in generic spatial dimensions. It is based on a momentum-space discretization of the continuum equation and on a pseudo-spectral approximation of the non-linear term. The method is tested in (1+1)- and (2+1)- dimensions, where it is shown to reproduce the current most reliable estimates of the critical exponents based on Restricted Solid-on-Solid simulations. In particular it allows the computations of various correlation and structure functions with high degree of numerical accuracy. Some deficiencies which are common to all previously used finite-difference schemes are pointed out and the usefulness of the present approach in this respect is discussed.Comment: 12 pages, 13 .eps figures, revetx4. A few equations have been corrected. Erratum sent to Phys. Rev.

Self-assembly mechanism in colloids: perspectives from Statistical Physics

Motivated by recent experimental findings in chemical synthesis of colloidal particles, we draw an analogy between self-assembly processes occurring in biological systems (e.g. protein folding) and a new exciting possibility in the field of material science. We consider a self-assembly process whose elementary building blocks are decorated patchy colloids of various types, that spontaneously drive the system toward a unique and predetermined targeted macroscopic structure. To this aim, we discuss a simple theoretical model -- the Kern-Frenkel model -- describing a fluid of colloidal spherical particles with a pre-defined number and distribution of solvophobic and solvophilic regions on their surface. The solvophobic and solvophilic regions are described via a short-range square-well and a hard-sphere potentials, respectively. Integral equation and perturbation theories are presented to discuss structural and thermodynamical properties, with particular emphasis on the computation of the fluid-fluid (or gas-liquid) transition in the temperature-density plane. The model allows the description of both one and two attractive caps, as a function of the fraction of covered attractive surface, thus interpolating between a square-well and a hard-sphere fluid, upon changing the coverage. By comparison with Monte Carlo simulations, we assess the pros and the cons of both integral equation and perturbation theories in the present context of patchy colloids, where the computational effort for numerical simulations is rather demanding.Comment: 14 pages, 7 figures, Special issue for the SigmaPhi2011 conferenc

Microscopic formulation of the Zimm-Bragg model for the helix-coil transition

A microscopic spin model is proposed for the phenomenological Zimm-Bragg model for the helix-coil transition in biopolymers. This model is shown to provide the same thermophysical properties of the original Zimm-Bragg model and it allows a very convenient framework to compute statistical quantities. Physical origins of this spin model are made transparent by an exact mapping into a one-dimensional Ising model with an external field. However, the dependence on temperature of the reduced external field turns out to differ from the standard one-dimensional Ising model and hence it gives rise to different thermophysical properties, despite the exact mapping connecting them. We discuss how this point has been frequently overlooked in the recent literature.Comment: 11 pages, 2 figure

Macroinvertebrados acuáticos y su importancia como bioindicadores de calidad del agua en el río Alambi

El estudio de Macroinvertebrados acuáticos (MAIA) para determinar su relación frente a un tipo de contaminación rutinaria, se realizó en el recorrido del río Alambi, desde la cota de los 2610 hasta la cota de 1120 m.s.n.m., estableciendo como estaciones referenciales entre los sitios Antes vs Después, los centros poblados de Nono, Tandayapa, Nanegalito y Nanegal. Se determino la abundancia total de 6447 individuos ubicados dentro de 16 ordenes, 47 familias y 55 géneros (Apéndice 1). De los cuales 4726 pertenecen al grupo de los EPT indicadores de buena calidad, estableciendo un promedio total de 197, de los 213,5 registrados para los sitios Antes y 180,5 para los sitios Después. La valoración biológica global BMWP(A) fue de 110,38, siendo 116.20 para sitios Antes y 104,58 para sitios Después. El nivel de significancia entre estos dos índices fue de 0,76 catalogando al agua del río Alambi como de “BUENA” calidad biológica, resultados que fueron corroborados mediante los parámetros Físico-químicos del ICA los cuales igualmente determinaron una buena calidad del agua.Palabras clave.- Macroinvertebrados acuáticos, Bioindicadores, Biological Monitoring Working Party de Antioquia, Ephemeroptera, Plecoptera, Trichoptera, Índice de calidad del Agua

Osmotic pressure induced coupling between cooperativity and stability of a helix-coil transition

Most helix-coil transition theories can be characterized by a set of three parameters: energetic, describing the (free) energy cost of forming a helical state in one repeating unit; entropic, accounting for the decrease of entropy due to the helical state formation; and geometric, indicating how many repeating units are affected by the formation of one helical state. Depending on their effect on the helix-coil transition, solvents or co-solutes can be classified with respect to their action on these parameters. Solvent interactions that alter the entropic cost of helix formation by their osmotic action can affect both the stability (transition temperature) and the cooperativity (transition interval) of the helix-coil transition. A consistent inclusion of osmotic pressure effects in a description of helix-coil transition for poly(L-glutamic acid) in solution with polyethylene glycol can offer an explanation of the experimentally observed linear dependence of transition temperature on osmotic pressure as well as the concurrent changes in the cooperativity of the transition.Comment: 5 pages, 3 figures. To be submitted to Phys.Rev.Let