Interfacial layering in a three-component polymer system

We study theoretically the temporal evolution and the spatial structure of the interface between two polymer melts involving three different species (A, A* and B). The first melt is composed of two different polymer species A and A* which are fairly indifferent to one another (Flory parameter chi_AA* ~ 0). The second melt is made of a pure polymer B which is strongly attracted to species A (chi_AB 0). We then show that, due to these contradictory tendencies, interesting properties arise during the evolution of the interface after the melts are put into contact: as diffusion proceeds, the interface structures into several adjacent "compartments", or layers, of differing chemical compositions, and in addition, the central mixing layer grows in a very asymmetric fashion. Such unusual behaviour might lead to interesting mechanical properties, and demonstrates on a specific case the potential richness of multi-component polymer interfaces (as compared to conventional two-component interfaces) for various applications.Comment: Revised version, to appear in Macromolecule

Contact line motion for partially wetting fluids

We study the flow close to an advancing contact line in the limit of small capillary number. To take into account wetting effects, both long and short-ranged contributions to the disjoining pressure are taken into account. In front of the contact line, there is a microscopic film corresponding to a minimum of the interaction potential. We compute the parameters of the contact line solution relevant to the matching to a macroscopic problem, for example a spreading droplet. The result closely resembles previous results obtained with a slip model

Theoretical study of dislocation nucleation from simple surface defects in semiconductors

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain close to the theoretical strength, the results show that these defects weaken the atomic structure, initializing plastic deformations, in particular dislocations. The character of the dislocation nucleated can be predicted considering both the resolved shear stress related to the applied stress orientation and the Peierls stress. At low temperature, only glide events in the shuffle set planes are observed. Then they progressively disappear and are replaced by amorphization/melting zones at a temperature higher than 900 K

Helium condensation in aerogel: avalanches and disorder-induced phase transition

We present a detailed numerical study of the elementary condensation events (avalanches) associated to the adsorption of $^4$He in silica aerogels. We use a coarse-grained lattice-gas description and determine the nonequilibrium behavior of the adsorbed gas within a local mean-field analysis, neglecting thermal fluctuations and activated processes. We investigate the statistical properties of the avalanches, such as their number, size and shape along the adsorption isotherms as a function of gel porosity, temperature, and chemical potential. Our calculations predict the existence of a line of critical points in the temperature-porosity diagram where the avalanche size distribution displays a power-law behavior and the adsorption isotherms have a universal scaling form. The estimated critical exponents seem compatible with those of the field-driven Random Field Ising Model at zero temperature.Comment: 16 pages, 14 figure

Monomer dynamics of a wormlike chain

We derive the stochastic equations of motion for a tracer that is tightly attached to a semiflexible polymer and confined or agitated by an externally controlled potential. The generalised Langevin equation, the power spectrum, and the mean-square displacement for the tracer dynamics are explicitly constructed from the microscopic equations of motion for a weakly bending wormlike chain by a systematic coarse-graining procedure. Our accurate analytical expressions should provide a convenient starting point for further theoretical developments and for the analysis of various single-molecule experiments and of protein shape fluctuations.Comment: 6 pages, 4 figure

Liquid-liquid coexistence in the phase diagram of a fluid confined in fractal porous materials

Multicanonical ensemble sampling simulations have been performed to calculate the phase diagram of a Lennard-Jones fluid embedded in a fractal random matrix generated through diffusion limited cluster aggregation. The study of the system at increasing size and constant porosity shows that the results are independent from the matrix realization but not from the size effects. A gas-liquid transition shifted with respect to bulk is found. On growing the size of the system on the high density side of the gas-liquid coexistence curve it appears a second coexistence region between two liquid phases. These two phases are characterized by a different behaviour of the local density inside the interconnected porous structure at the same temperature and chemical potential.Comment: 5 pages, 4 figures. To be published in Europhys. Letter

Dislocation dipoles and the nucleation of cracks in silicon nanopillars

To understand the brittle to ductile transtion at small scale in silicon nanopillars, plastic deformation of silicon nanopillars was investigated by atomistic simulations. Perfect dislocations were found to be nucleated from surfaces and nano cavities were evidenced resulting from dislocation dipoles annihilation. The formation of such cavities is consistent with previous atomistic calculations showing that the annihilation of dislocation vacancy dipole of perfect shuffle dislocations is associated to the formation of vacancy clusters in silicon and diamond [1]. In nanopillars such cavities contribute to the nucleation of cracks [2]. This mechanism of crack nucleation is relevant to single slip deformation and does not require any interactions between dislocations issued from intersecting glide planes as usually postulated for crack nucleation [3]. Incipient dipoles were also found nucleated on the glide plane swept by dislocations. These incipient dipoles result from bond flips and are similar to the Stone–Wales defects in graphene [4]. These defects could be similar and related to the “dislocations trails” found in the glide plane of dislocations in other deformation conditions, a long time and rather unsolved problem in silicon (see for example [5]). Under the applied stress those incipient dipoles appear to act as new nucleation centers for dislocations located in the glide plane. Those dislocations contribute to dislocation interactions in parallel slip planes and to the formation of nano cracks following the described above mechanism

Dewetting of Glassy Polymer Films

Dynamics and morphology of hole growth in a film of power hardening viscoplastic solid (yield stress ~ [strain-rate]^n) is investigated. At short-times the growth is exponential and depends on the initial hole size. At long-times, for n > 1/3, the growth is exponential with a different exponent. However, for n < 1/3, the hole growth slows; the hole radius approaches an asymptotic value as time tends to infinity. The rim shape is highly asymmetric, the height of which has a power law dependence on the hole radius (exponent close to unity for 0.25 < n < 0.4). The above results explain recent intriguing experiments of Reiter, Phys. Rev. Lett, 87, 186101 (2001).Comment: 4 pages, 5 figures, RevTe

Probing structural relaxation in complex fluids by critical fluctuations

Complex fluids, such as polymer solutions and blends, colloids and gels, are of growing interest in fundamental and applied soft-condensed-matter science. A common feature of all such systems is the presence of a mesoscopic structural length scale intermediate between atomic and macroscopic scales. This mesoscopic structure of complex fluids is often fragile and sensitive to external perturbations. Complex fluids are frequently viscoelastic (showing a combination of viscous and elastic behaviour) with their dynamic response depending on the time and length scales. Recently, non-invasive methods to infer the rheological response of complex fluids have gained popularity through the technique of microrheology, where the diffusion of probe spheres in a viscoelastic fluid is monitored with the aid of light scattering or microscopy. Here we propose an alternative to traditional microrheology that does not require doping of probe particles in the fluid (which can sometimes drastically alter the molecular environment). Instead, our proposed method makes use of the phenomenon of "avoided crossing" between modes associated with the structural relaxation and critical fluctuations that are spontaneously generated in the system.Comment: 4 pages, 4 figure