Coarsening and Pinning in the Self-consistent Solution of Polymer Blends Phase-Separation Kinetics

We study analytically a continuum model for phase-separation in binary polymer blends based on the Flory-Huggins-De Gennes free energy, by means of the self-consistent large-$n$ limit approach. The model is solved for values of the parameters corresponding to the weak and strong segregation limits. For deep quenches we identify a complex structure of intermediate regimes and crossovers characterized by the existence of a time domain such that phase separation is pinned, followed by a preasymptotic regime which in the scalar case corresponds to surface diffusion. The duration of the pinning is analytically computed and diverges in the strong segregation limit. Eventually a late stage dynamics sets in, described by scaling laws and exponents analogous to those of the corresponding small molecule systems.Comment: 16 pages, 5 figures. Submitted to Phys. Rev.

Conformational mechanism for the stability of microtubule-kinetochore attachments

Regulating the stability of microtubule(MT)-kinetochore attachments is fundamental to avoiding mitotic errors and ensure proper chromosome segregation during cell division. While biochemical factors involved in this process have been identified, its mechanics still needs to be better understood. Here we introduce and simulate a mechanical model of MT-kinetochore interactions in which the stability of the attachment is ruled by the geometrical conformations of curling MT-protofilaments entangled in kinetochore fibrils. The model allows us to reproduce with good accuracy in vitro experimental measurements of the detachment times of yeast kinetochores from MTs under external pulling forces. Numerical simulations suggest that geometrical features of MT-protofilaments may play an important role in the switch between stable and unstable attachments

Numerical study of surface tension driven convection in thermal magnetic fluids

Microgravity conditions pose unique challenges for fluid handling and heat transfer applications. By controlling (curtailing or augmenting) the buoyant and thermocapillary convection, the latter being the dominant convective flow in a microgravity environment, significant advantages can be achieved in space based processing. The control of this surface tension gradient driven flow is sought using a magnetic field, and the effects of these are studied computationally. A two-fluid layer system, with the lower fluid being a non-conducting ferrofluid, is considered under the influence of a horizontal temperature gradient. To capture the deformable interface, a numerical method to solve the Navier???Stokes equations, heat equations, and Maxwell???s equations was developed using a hybrid level set/ volume-of-fluid technique. The convective velocities and heat fluxes were studied under various regimes of the thermal Marangoni number Ma, the external field represented by the magnetic Bond number Bom, and various gravity levels, Fr. Regimes where the convection were either curtailed or augmented were identified. It was found that the surface force due to the step change in the magnetic permeability at the interface could be suitably utilized to control the instability at the interface.published or submitted for publicationis peer reviewe

Relationship between solidification microstructure and hot cracking susceptibility for continuous casting of low-carbon and high-strength low-alloyed steels: A phase-field study

© The Minerals, Metals & Materials Society and ASM International 2013Hot cracking is one of the major defects in continuous casting of steels, frequently limiting the productivity. To understand the factors leading to this defect, microstructure formation is simulated for a low-carbon and two high-strength low-alloyed steels. 2D simulation of the initial stage of solidification is performed in a moving slice of the slab using proprietary multiphase-field software and taking into account all elements which are expected to have a relevant effect on the mechanical properties and structure formation during solidification. To account for the correct thermodynamic and kinetic properties of the multicomponent alloy grades, the simulation software is online coupled to commercial thermodynamic and mobility databases. A moving-frame boundary condition allows traveling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. From the simulation results, significant microstructure differences between the steel grades are quantitatively evaluated and correlated with their hot cracking behavior according to the Rappaz-Drezet-Gremaud (RDG) hot cracking criterion. The possible role of the microalloying elements in hot cracking, in particular of traces of Ti, is analyzed. With the assumption that TiN precipitates trigger coalescence of the primary dendrites, quantitative evaluation of the critical strain rates leads to a full agreement with the observed hot cracking behavior. © 2013 The Minerals, Metals & Materials Society and ASM International

Computational studies of biomembrane systems: Theoretical considerations, simulation models, and applications

This chapter summarizes several approaches combining theory, simulation and experiment that aim for a better understanding of phenomena in lipid bilayers and membrane protein systems, covering topics such as lipid rafts, membrane mediated interactions, attraction between transmembrane proteins, and aggregation in biomembranes leading to large superstructures such as the light harvesting complex of green plants. After a general overview of theoretical considerations and continuum theory of lipid membranes we introduce different options for simulations of biomembrane systems, addressing questions such as: What can be learned from generic models? When is it expedient to go beyond them? And what are the merits and challenges for systematic coarse graining and quasi-atomistic coarse grained models that ensure a certain chemical specificity

Hydrodynamic Analysis of Binary Immiscible Metallurgical Flow in a Novel Mixing Process: Rheomixing

This paper presents a hydrodynamic analysis of binary immiscible metallurgical flow by a numerical simulation of the rheomixing process. The concept of multi-controll is proposed for classifying complex processes and identifying individual processes in an immiscible alloy system in order to perform simulations. A brief review of fabrication methods for immiscible alloys is given, and fluid flow aspects of a novel fabrication method – rheomixing by twin-screw extruder (TSE) are analysed. Fundamental hydrodynamic micro-mechanisms in a TSE are simulated by a piecewise linear (PLIC) volume-of-fluid (VOF) method coupled with the continuum surface force (CFS) algorithm. This revealed that continuous reorientation in the TSE process could produce fine droplets and the best mixing efficiency. It is verified that TSE is a better mixing device than single screw extruder (SSE) and can achieve finer droplets. Numerical results show good qualitative agreement with experimental results. It is concluded that rheomixing by a TSE can be successfully employed for casting immiscible engineering alloys due to its unique characteristics of reorientation and surface renewal

Fluid Vesicles in Flow

We review the dynamical behavior of giant fluid vesicles in various types of external hydrodynamic flow. The interplay between stresses arising from membrane elasticity, hydrodynamic flows, and the ever present thermal fluctuations leads to a rich phenomenology. In linear flows with both rotational and elongational components, the properties of the tank-treading and tumbling motions are now well described by theoretical and numerical models. At the transition between these two regimes, strong shape deformations and amplification of thermal fluctuations generate a new regime called trembling. In this regime, the vesicle orientation oscillates quasi-periodically around the flow direction while asymmetric deformations occur. For strong enough flows, small-wavelength deformations like wrinkles are observed, similar to what happens in a suddenly reversed elongational flow. In steady elongational flow, vesicles with large excess areas deform into dumbbells at large flow rates and pearling occurs for even stronger flows. In capillary flows with parabolic flow profile, single vesicles migrate towards the center of the channel, where they adopt symmetric shapes, for two reasons. First, walls exert a hydrodynamic lift force which pushes them away. Second, shear stresses are minimal at the tip of the flow. However, symmetry is broken for vesicles with large excess areas, which flow off-center and deform asymmetrically. In suspensions, hydrodynamic interactions between vesicles add up to these two effects, making it challenging to deduce rheological properties from the dynamics of individual vesicles. Further investigations of vesicles and similar objects and their suspensions in steady or time-dependent flow will shed light on phenomena such as blood flow.Comment: 13 pages, 13 figures. Adv. Colloid Interface Sci., 201

Mechanical and Chemical Effects in Adhesion of Thin Shell Structures with Applications in Wafer Bonding and Adhesion of Living Cells

A theoretical model is analyzed to investigate the adhesion of thin shell structures to both rigid and deformable substrates under a variety of surface conditions. The thermodynamic forces driving the adhesive process are determined from an interfacial free energy, which is described within a classical thermodynamics framework. Deformations of the thin, elastic shells are studied using a geometrically nonlinear shell theory. Finite-range adhesive tractions, chemical segregation, substrate compliance, and substrate topography all are considered over a wide range of geometric and material parameters. Equilibrium adhesion states are characterized by a shell flatness parameter, the contact radius, and the adhesive and elastic energies. The nonlinear, coupled differential equations governing mechanical and chemical equilibrium are studied using finite differences and numerical continuation methods. The analysis has applications in wafer bonding and the adhesion of living cells

Dissipative flows of 2D foams

We analyze the flow of a liquid foam between two plates separated by a gap of the order of the bubble size (2D foam). We concentrate on the salient features of the flow that are induced by the presence, in an otherwise monodisperse foam, of a single large bubble whose size is one order of magnitude larger than the average size. We describe a model suited for numerical simulations of flows of 2D foams made up of a large number of bubbles. The numerical results are successfully compared to analytical predictions based on scaling arguments and on continuum medium approximations. When the foam is pushed inside the cell at a controlled rate, two basically different regimes occur: a plug flow is observed at low flux whereas, above a threshold, the large bubble migrates faster than the mean flow. The detailed characterization of the relative velocity of the large bubble is the essential aim of the present paper. The relative velocity values, predicted both from numerical and from analytical calculations that are discussed here in great detail, are found to be in fair agreement with experimental results