Stick and Slip Behaviour of Confined Oligomer Melts under Shear. A Molecular-Dynamics Study.

The flow behaviour of melts of short chains, confined in molecularly thin Couette flow geometries, is studied with molecular-dynamics simulations. The effect of wall attraction and confinement on the density and velocity profiles is analysed. In these highly inhomogeneous films, a strong correlation between the density and velocity profile is found. Sticking of the interfacial layer on the wall and slip on the wall and inside the film is manifested by changes in the velocity profile. The location of the slip is determined by the strength of the wall attraction.

The influence of the Al stabilizer layer thickness on the normal zone propagation velocity in high current superconductors

The stability of high-current superconductors is challenging in the design of superconducting magnets. When the stability requirements are fulfilled, the protection against a quench must still be considered. A main factor in the design of quench protection systems is the resistance growth rate in the magnet following a quench. The usual method for determining the resistance growth in impregnated coils is to calculate the longitudinal velocity with which the normal zone propagates in the conductor along the coil windings. Here, we present a 2D numerical model for predicting the normal zone propagation velocity in Al stabilized Rutherford NbTi cables with large cross section. By solving two coupled differential equations under adiabatic conditions, the model takes into account the thermal diffusion and the current redistribution process following a quench. Both the temperature and magnetic field dependencies of the superconductor and the metal cladding materials properties are included. Unlike common normal zone propagation analyses, we study the influence of the thickness of the cladding on the propagation velocity for varying operating current and magnetic field. To assist in the comprehension of the numerical results, we also introduce an analytical formula for the longitudinal normal zone propagation. The analysis distinguishes between low-current and high-current regimes of normal zone propagation, depending on the ratio between the characteristic times of thermal and magnetic diffusion. We show that above a certain thickness, the cladding acts as a heat sink with a limited contribution to the acceleration of the propagation velocity with respect to the cladding geometry. Both numerical and analytical results show good agreement with experimental data.Comment: To be published in Physics Procedia (ICEC 25 conference special issue

Self-Assembly of Supramolecules Consisting of Octyl Gallate Hydrogen Bonded to Polyisoprene-block-poly(vinylpyridine) Diblock Copolymers

Synchrotron radiation was used to investigate the self-assembly in two comb-shaped supramolecules systems consisting of octyl gallate (OG), i.e., 1-octyl-3,4,5-trihydroxybenzoate, hydrogen bonded to the pyridine groups of polyisoprene-block-poly(vinylpyridine) diblock copolymers. In the case of the 1,2-polyisoprene-block-poly(4-vinylpyridine)(OG)x system, self-assembly was only observed for x ≥0.5, where x denotes the number of OG molecules per pyridine group. For x = 0.5, 0.75, 1.0, and 1.2 the system self-assembled in the form of hexagonally ordered cylinders of P4VP(OG) throughout the entire temperature range of 25-200 °C investigated. For the 1,4-polyisoprene-block-poly(2-vinylpyridine)(OG)x system, on the other hand, a considerably more complex phase behavior was found, including the formation of cubic, hexagonally ordered cylinders and lamellar morphologies. In this case several order-order transitions were observed as a function of temperature, including a lamellar to lamellar transition involving a collapse of the layer thickness. The absence of hydrogen bonding between the octyl gallate molecules and the pyridine groups at elevated temperatures is argued to be a key factor for many of the phenomena observed.

Adsorption-desorption kinetics in nanoscopically confined oligomer films under shear

The method of molecular dynamics computer simulations is employed to study oligomer melts confined in ultra-thin films and subjected to shear. The focus is on the self-diffusion of oligomers near attractive surfaces and on their desorption, together with the effects of increasing energy of adsorption and shear. It is found that the mobility of the oligomers near an attractive surface is strongly decreased. Moreover, although shearing the system forces the chains to stretch parallel to the surfaces and thus increase the energy of adsorption per chain, flow also promotes desorption. The study of chain desorption kinetics reveals the molecular processes responsible for the enhancement of desorption under shear. They involve sequences of conformations starting with a desorbed tail and proceeding in a very fast, correlated, segment-by-segment manner to the desorption of the oligomers from the surfaces.

Helical paths, gravitaxis, and separation phenomena for mass-anisotropic self-propelling colloids: experiment versus theory

The self-propulsion mechanism of active colloidal particles often generates not only translational but also rotational motion. For particles with an anisotropic mass density under gravity, the motion is usually influenced by a downwards oriented force and an aligning torque. Here we study the trajectories of self-propelled bottom-heavy Janus particles in three spatial dimensions both in experiments and by theory. For a sufficiently large mass anisotropy, the particles typically move along helical trajectories whose axis is oriented either parallel or antiparallel to the direction of gravity (i.e., they show gravitaxis). In contrast, if the mass anisotropy is small and rotational diffusion is dominant, gravitational alignment of the trajectories is not possible. Furthermore, the trajectories depend on the angular self-propulsion velocity of the particles. If this component of the active motion is strong and rotates the direction of translational self-propulsion of the particles, their trajectories have many loops, whereas elongated swimming paths occur if the angular self-propulsion is weak. We show that the observed gravitational alignment mechanism and the dependence of the trajectory shape on the angular self-propulsion can be used to separate active colloidal particles with respect to their mass anisotropy and angular self-propulsion, respectively

Current profiles and AC losses of a superconducting strip with elliptic cross-section in perpendicular magnetic field

The case of a hard type II superconductor in the form of strip with elliptic cross-section when placed in transverse magnetic field is studied. We approach the problem in two steps, both based on the critical-state model. First we calculate numerically the penetrated current profiles that ensure complete shielding in the interior, without assuming an a priori form for the profiles. In the second step we introduce an analytical approximation that asumes that the current profiles are ellipses. Expressions linking the sample magnetization to the applied field are derived covering the whole range of applied fields. The theoretical predictions are tested by the comparison with experimental data for the imaginary part of AC susceptibility.Comment: 12 pages; 3 figure

Focusing by blocking: repeatedly generating central density peaks in self-propelled particle systems by exploiting diffusive processes

Over the past few years the displacement statistics of self-propelled particles has been intensely studied, revealing their long-time diffusive behavior. Here, we demonstrate that a concerted combination of boundary conditions and switching on and off the self-propelling drive can generate and afterwards arbitrarily often restore a non-stationary centered peak in their spatial distribution. This corresponds to a partial reversibility of their statistical behavior, in opposition to the above-mentioned long-time diffusive nature. Interestingly, it is a diffusive process that mediates and makes possible this procedure. It should be straightforward to verify our predictions in a real experimental system.Comment: 6 pages, 6 figure

Interaction and Localization of One-electron Orbitals in an Organic Molecule: Fictitious Parameter Analysis for Multi-physics Simulations

We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally constructed from the ab initio molecular orbital method and the classical statistical mechanics with the fictitious parameter representing the coupling strength between solute and solvent. We obtain a number of one-electron orbital energies of the solute molecule derived from the Hartree-Fock approximation, and eigenvalue-statistical analysis developed in the study of nonintegrable systems is applied to them. Based on the results, we analyze localization properties of the electronic wavefunctions under the influence of the solvent.Comment: 4 pages, 5 figures, the revised version will appear in J. Phys. Soc. Jpn. Vol.76 (No.1