Stability and Dynamics of Crystals and Glasses of Motorized Particles

Many of the large structures of the cell, such as the cytoskeleton, are assembled and maintained far from equilibrium. We study the stabilities of various structures for a simple model of such a far-from-equilibrium organized assembly in which spherical particles move under the influence of attached motors. From the variational solutions of the manybody master equation for Brownian motion with motorized kicking we obtain a closed equation for the order parameter of localization. Thus we obtain the transition criterion for localization and stability limits for the crystalline phase and frozen amorphous structures of motorized particles. The theory also allows an estimate of nonequilibrium effective temperatures characterizing the response and fluctuations of motorized crystals and glasses.Comment: 5 pages, 3 figure

Lattice Boltzmann versus Molecular Dynamics simulation of nano-hydrodynamic flows

A fluid flow in a simple dense liquid, passing an obstacle in a two-dimensional thin film geometry, is simulated by Molecular Dynamics (MD) computer simulation and compared to results of Lattice Boltzmann (LB) simulations. By the appropriate mapping of length and time units from LB to MD, the velocity field as obtained from MD is quantitatively reproduced by LB. The implications of this finding for prospective LB-MD multiscale applications are discussed.Comment: 4 pages, 4 figure

Self-assembly of the simple cubic lattice with an isotropic potential

Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301 (2005), Phys. Rev. E 73, 011406 (2006)), we present an isotropic pair potential $V(r)$ for a three-dimensional many-particle system whose classical ground state is the low-coordinated simple cubic (SC) lattice. This result is part of an ongoing pursuit by the authors to develop analytical and computational tools to solve statistical-mechanical inverse problems for the purpose of achieving targeted self-assembly. The purpose of these methods is to design interparticle interactions that cause self-assembly of technologically important target structures for applications in photonics, catalysis, separation, sensors and electronics. We also show that standard approximate integral-equation theories of the liquid state that utilize pair correlation function information cannot be used in the reverse mode to predict the correct simple cubic potential. We report in passing optimized isotropic potentials that yield the body-centered cubic and simple hexagonal lattices, which provide other examples of non-close-packed structures that can be assembled using isotropic pair interactions.Comment: 16 pages, 12 figures. Accepted for publication in Physical Review

Formation of bubbles and droplets in microfluidic systems

This mini-review reports the recent advances in the hydrodynamic techniques for formation of bubbles of gas in liquid in microfluidic systems. Systems comprising ducts that have widths of the order of 100 micrometers produce suspensions of bubbles with narrow size distributions. Certain of these systems have the ability to tune the volume fraction of the gaseous phase – over the whole range from zero to one. The rate of flow of the liquids through the devices determines the mechanism of formation of the bubbles – from break-up controlled by the rate of flow of the liquid (at low capillary numbers, and in the presence of strong confinement by the walls of the microchannels), to dynamics dominated by inertial effects (at high Weber numbers). The region of transition between these two regimes exhibits nonlinear behaviours, with period doubling cascades and irregular bubbling as prominent examples. Microfluidic systems provide new and uniquely controlled methods for generation of bubbles, and offer potential applications in micro-flow chemical processing, synthesis of materials, and fluidic optics.The U.S. Department of Energy DE-FG02- 00ER45852Foundation for Polish ScienceMinisterio de Educación y Ciencia de España DPI2002-04305-C02-02

Locked and Unlocked Polygonal Chains in 3D

In this paper, we study movements of simple polygonal chains in 3D. We say that an open, simple polygonal chain can be straightened if it can be continuously reconfigured to a straight sequence of segments in such a manner that both the length of each link and the simplicity of the chain are maintained throughout the movement. The analogous concept for closed chains is convexification: reconfiguration to a planar convex polygon. Chains that cannot be straightened or convexified are called locked. While there are open chains in 3D that are locked, we show that if an open chain has a simple orthogonal projection onto some plane, it can be straightened. For closed chains, we show that there are unknotted but locked closed chains, and we provide an algorithm for convexifying a planar simple polygon in 3D with a polynomial number of moves.Comment: To appear in Proc. 10th ACM-SIAM Sympos. Discrete Algorithms, Jan. 199

Nanoscale fluid flows in the vicinity of patterned surfaces

Molecular dynamics simulations of dense and rarefied fluids comprising small chain molecules in chemically patterned nano-channels predict a novel switching from Poiseuille to plug flow along the channel. We also demonstrate behavior akin to the lotus effect for a nanodrop on a chemically patterned substrate. Our results show that one can control and exploit the behavior of fluids at the nanoscale using chemical patterning.Comment: Phys. Rev. Lett. in pres

Maximum Independent Sets in Subcubic Graphs: New Results

The maximum independent set problem is known to be NP-hard in the class of subcubic graphs, i.e. graphs of vertex degree at most 3. We present a polynomial-time solution in a subclass of subcubic graphs generalizing several previously known results

Chaotic flow and efficient mixing in a micro-channel with a polymer solution

Microscopic flows are almost universally linear, laminar and stationary because Reynolds number, $Re$, is usually very small. That impedes mixing in micro-fluidic devices, which sometimes limits their performance. Here we show that truly chaotic flow can be generated in a smooth micro-channel of a uniform width at arbitrarily low $Re$, if a small amount of flexible polymers is added to the working liquid. The chaotic flow regime is characterized by randomly fluctuating three-dimensional velocity field and significant growth of the flow resistance. Although the size of the polymer molecules extended in the flow may become comparable with the micro-channel width, the flow behavior is fully compatible with that in a table-top channel in the regime of elastic turbulence. The chaotic flow leads to quite efficient mixing, which is almost diffusion independent. For macromolecules, mixing time in this microscopic flow can be three to four orders of magnitude shorter than due to molecular diffusion.Comment: 8 pages,7 figure

Self-assembly, Self-organization, Nanotechnology and vitalism

International audienceOver the past decades, self-assembly has attracted a lot of research attention and transformed the relations between chemistry, materials science and biology. The paper explores the impact of the current interest in self-assembly techniques on the traditional debate over the nature of life. The first section describes three different research programs of self-assembly in nanotechnology in order to characterize their metaphysical implications: -1- Hybridization ( using the building blocks of living systems for making devices and machines) ; -2- Biomimetics (making artifacts mimicking nature); -3- Integration (a composite of the two previous strategies). The second section focused on the elusive boundary between selfassembly and self-organization tries to map out the various positions adopted by the promoters of self-assembly on the issue of vitalism

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