Nucleated polymerization with secondary pathways. I. Time evolution of the principal moments.

Self-assembly processes resulting in linear structures are often observed in molecular biology, and include the formation of functional filaments such as actin and tubulin, as well as generally dysfunctional ones such as amyloid aggregates. Although the basic kinetic equations describing these phenomena are well-established, it has proved to be challenging, due to their non-linear nature, to derive solutions to these equations except for special cases. The availability of general analytical solutions provides a route for determining the rates of molecular level processes from the analysis of macroscopic experimental measurements of the growth kinetics, in addition to the phenomenological parameters, such as lag times and maximal growth rates that are already obtainable from standard fitting procedures. We describe here an analytical approach based on fixed-point analysis, which provides self-consistent solutions for the growth of filamentous structures that can, in addition to elongation, undergo internal fracturing and monomer-dependent nucleation as mechanisms for generating new free ends acting as growth sites. Our results generalise the analytical expression for sigmoidal growth kinetics from the Oosawa theory for nucleated polymerisation to the case of fragmenting filaments. We determine the corresponding growth laws in closed form and derive from first principles a number of relationships which have been empirically established for the kinetics of the self-assembly of amyloid fibrils.

Influence of insoluble surfactant on the deformation and breakup of a bubble or thread in a viscous fluid

The influence of surfactant on the breakup of a prestretched bubble in a quiescent viscous surrounding is studied by a combination of direct numerical simulation and the solution of a long-wave asymptotic model. The direct numerical simulations describe the evolution toward breakup of an inviscid bubble, while the effects of small but non-zero interior viscosity are readily included in the long-wave model for a fluid thread in the Stokes flow limit. The direct numerical simulations use a specific but realizable and representative initial bubble shape to compare the evolution toward breakup of a clean or surfactant-free bubble and a bubble that is coated with insoluble surfactant. A distinguishing feature of the evolution in the presence of surfactant is the interruption of bubble breakup by formation of a slender quasi-steady thread of the interior fluid. This forms because the decrease in surface area causes a decrease in the surface tension and capillary pressure, until at a small but non-zero radius, equilibrium occurs between the capillary pressure and interior fluid pressure. The long-wave asymptotic model, for a thread with periodic boundary conditions, explains the principal mechanism of the slender thread's formation and confirms, for example, the relatively minor role played by the Marangoni stress. The large-time evolution of the slender thread and the precise location of its breakup are, however, influenced by effects such as the Marangoni stress and surface diffusion of surfactant. © 2008 Cambridge University Press.

Pulsed-field magnetization of drilled bulk high-temperature superconductors: flux front propagation in the volume and on the surface

We present a method for characterizing the propagation of the magnetic flux in an artificially drilled bulk high-temperature superconductor (HTS) during a pulsed-field magnetization. As the magnetic pulse penetrates the cylindrical sample, the magnetic flux density is measured simultaneously in 16 holes by means of microcoils that are placed across the median plane, i.e. at an equal distance from the top and bottom surfaces, and close to the surface of the sample. We discuss the time evolution of the magnetic flux density in the holes during a pulse and measure the time taken by the external magnetic flux to reach each hole. Our data show that the flux front moves faster in the median plane than on the surface when penetrating the sample edge; it then proceeds faster along the surface than in the bulk as it penetrates the sample further. Once the pulse is over, the trapped flux density inside the central hole is found to be about twice as large in the median plane than on the surface. This ratio is confirmed by modelling.

Nonlinear phenomena in thermoacoustics: A comparison between single-mode and multi-mode methods

Nonlinear analysis of thermoacoustic instability is essential for prediction of frequencies and amplitudes of limit cycles. In frequency domain analyses, a quasi-linear transfer function between acoustic velocity and heat release rate perturbations, called the flame describing function (FDF), is obtained from a flame model or experiments. The FDF is a function of the frequency and amplitude of velocity perturbations but only contains the heat release response at the forcing frequency. While the gain and phase of the FDF provide insight into the nonlinear dynamics of the system, the accuracy of its predictions remains to be verified for different types of nonlinearity. In time domain analyses, the governing equations of the fully coupled problem are solved to find the time evolution of the system. One method is to discretize the governing equations using a suitable basis, such as the natural acoustic modes of the system. The number of modes used in the discretization alters the accuracy of the solution. In our previous work we have shown that predictions using the FDF are almost exactly the same as those obtained from the time-domain using only one mode for the discretization. We call this the single-mode method. In this paper we compare results from the single-mode and multi-mode methods, applied to a thermoacoustic system of a premixed flame in a tube. For some cases, the results differ greatly in both amplitude as well as frequency content. This study shows that the contribution from higher and subharmonics to the nonlinear dynamics can be significant and must be considered for an accurate and comprehensive analysis of thermoacoustic systems. Hence multi-mode simulations are necessary, and the single-mode method or the FDF may be insufficient to capture some of the complex nonlinear behaviour in fhermoacoustics.

Transient ventilation dynamics induced by heat sources of unequal strength

We examine theoretically the transient displacement flow and density stratification that develops within a ventilated box after two localized floor-level heat sources of unequal strengths are activated. The heat input is represented by two non-interacting turbulent axisymmetric plumes of constant buoyancy fluxes B1 and B2 > B1. The box connects to an unbounded quiescent external environment of uniform density via openings at the top and base. A theoretical model is developed to predict the time evolution of the dimensionless depths λj and mean buoyancies δj of the 'intermediate' (j = 1) and 'top' (j = 2) layers leading to steady state. The flow behaviour is classified in terms of a stratification parameter S, a dimensionless measure of the relative forcing strengths of the two buoyant layers that drive the flow. We find that dδ1/dτ α 1/λ1 and dδ2/dτ α 1/λ2, where τ is a dimensionless time. When S 1, the intermediate layer is shallow (small λ1), whereas the top layer is relatively deep (large λ2) and, in this limit, δ1 and δ2 evolve on two characteristically different time scales. This produces a time lag and gives rise to a 'thermal overshoot', during which δ1 exceeds its steady value and attains a maximum during the transients; a flow feature we refer to, in the context of a ventilated room, as 'localized overheating'. For a given source strength ratio ψ = B1/B2, we show that thermal overshoots are realized for dimensionless opening areas A < Aoh and are strongly dependent on the time history of the flow. We establish the region of {A, ψ} space where rapid development of δ1 results in δ1 > δ2, giving rise to a bulk overturning of the buoyant layers. Finally, some implications of these results, specifically to the ventilation of a room, are discussed. © Cambridge University Press 2013.

Initiation of immersed granular avalanches.

By means of coupled molecular dynamics-computational fluid dynamics simulations, we analyze the initiation of avalanches in a granular bed of spherical particles immersed in a viscous fluid and inclined above its angle of repose. In quantitative agreement with experiments, we find that the bed is unstable for a packing fraction below 0.59 but is stabilized above this packing fraction by negative excess pore pressure induced by the effect of dilatancy. From detailed numerical data, we explore the time evolution of shear strain, packing fraction, excess pore pressures, and granular microstructure in this creeplike pressure redistribution regime, and we show that they scale excellently with a characteristic time extracted from a model based on the balance of granular stresses in the presence of a negative excess pressure and its interplay with dilatancy. The cumulative shear strain at failure is found to be ≃ 0.2, in close agreement with the experiments, irrespective of the initial packing fraction and inclination angle. Remarkably, the avalanche is triggered when dilatancy vanishes instantly as a result of fluctuations while the average dilatancy is still positive (expanding bed) with a packing fraction that declines with the initial packing fraction. Another nontrivial feature of this creeplike regime is that, in contrast to dry granular materials, the internal friction angle of the bed at failure is independent of dilatancy but depends on the inclination angle, leading therefore to a nonlinear dependence of the excess pore pressure on the inclination angle. We show that this behavior may be described in terms of the contact network anisotropy, which increases with a nearly constant connectivity and levels off at a value (critical state) that increases with the inclination angle. These features suggest that the behavior of immersed granular materials is controlled not only directly by hydrodynamic forces acting on the particles but also by the influence of the fluid on the granular microstructure.

Understanding function and function-to-form evolution

This is a report on a workshop held at Cambridge University Engineering Design Centre, 17-10 June 1992. This workshop was held to discuss the issue of 'function' and 'function-to-form' evolution in mechanical design. The authors organised this workshop as they felt that their understanding of these topics was incomplete and that discussions between researchers might help to clarify some key issues.

The topic chosen for the workshop proved to be a stimulating one. The term 'function' is part of a designer's daily vocabulary, however there is poor agreement about its definition. In order to develop computer systems to support product evolution, a precise definition is required. Further the value of 'function' and 'function-to-form' evolution as a good choice of workshop topic is evident from the lack of firm conclusions that resulted from the sessions. This lack of consensus made for lively discussion and left participants questioning many of their preconceived ideas.

Attendance at the workshop was by invitation only. A list of the participants (not all those invited could attend due to time and financial constraints) is given in Appendix 1.

Time-resolved volumetric measurement of fine-scale coherent structures in turbulence.

We present full volumetric (three-dimensional) time-resolved (+one-dimensional) measurements of the velocity field in a large water mixing tank, allowing us to assess spatial and temporal rotational energy (enstrophy) and turbulent energy dissipation intermittency. In agreement with previous studies, highly intermittent behavior is observed, with intense coherent flow structures clustering in the periphery of larger vortices. However, further to previous work the full volumetric measurements allow us to separate out the effects of advection from other effects, elucidating not only their topology but also the evolution of these intense events, through the local balance of stretching and diffusion. These findings contribute toward a better understanding of the intermittency phenomenon, which should pave the way for more accurate models of the small-scale motions based on an understanding of the underlying flow physics.

Evolution of localized blobs of swirling or buoyant fluid with and without an ambient magnetic field.

We investigate the evolution of localized blobs of swirling or buoyant fluid in an infinite, inviscid, electrically conducting fluid. We consider the three cases of a strong imposed magnetic field, a weak imposed magnetic field, and no magnetic field. For a swirling blob in the absence of a magnetic field, we find, in line with others, that the blob bursts radially outward under the action of the centrifugal force, forming a thin annular vortex sheet. A simple model of this process predicts that the vortex sheet thins exponentially fast and that it moves radially outward with constant velocity. These predictions are verified by high-resolution numerical simulations. When an intense magnetic field is applied, this phenomenon is suppressed, with the energy and angular momentum of the blob now diffusing axially along the magnetic field lines, converting the blob into a columnar structure. For modest or weak magnetic fields, there are elements of both types of behavior, with the radial bursting dominating over axial diffusion for weak fields. However, even when the magnetic field is very weak, the flow structure is quite distinct to that of the nonmagnetic case. In particular, a small but finite magnetic field places a lower bound on the thickness of the annular vortex sheet and produces an annulus of counter-rotating fluid that surrounds the vortex core. The behavior of the buoyant blob is similar. In the absence of a magnetic field, it rapidly develops the mushroomlike shape of a thermal, with a thin vortex sheet at the top and sides of the mushroom. Again, a simple model of this process predicts that the vortex sheet at the top of the thermal thins exponentially fast and rises with constant velocity. These predictions are consistent with earlier numerical simulations. Curiously, however, it is shown that the net vertical momentum associated with the blob increases linearly in time, despite the fact that the vertical velocity at the front of the thermal is constant. As with the swirling blob, an imposed magnetic field inhibits the formation of a vortex sheet. A strong magnetic field completely suppresses the phenomenon, replacing it with an axial diffusion of momentum, while a weak magnetic field allows the sheet to form, but places a lower bound on its thickness. The magnetic field does not, however, change the net vertical momentum of the blob, which always increases linearly with time.

The temporal evolution of feedback gains rapidly update to task demands.

Recent theoretical frameworks such as optimal feedback control suggest that feedback gains should modulate throughout a movement and be tuned to task demands. Here we measured the visuomotor feedback gain throughout the course of movements made to "near" or "far" targets in human subjects. The visuomotor gain showed a systematic modulation over the time course of the reach, with the gain peaking at the middle of the movement and dropping rapidly as the target is approached. This modulation depends primarily on the proportion of the movement remaining, rather than hand position, suggesting that the modulation is sensitive to task demands. Model-predictive control suggests that the gains should be continuously recomputed throughout a movement. To test this, we investigated whether feedback gains update when the task goal is altered during a movement, that is when the target of the reach jumped. We measured the visuomotor gain either simultaneously with the jump or 100 ms after the jump. The visuomotor gain nonspecifically reduced for all target jumps when measured synchronously with the jump. However, the visuomotor gain 100 ms later showed an appropriate modulation for the revised task goal by increasing for jumps that increased the distance to the target and reducing for jumps that decreased the distance. We conclude that visuomotor feedback gain shows a temporal evolution related to task demands and that this evolution can be flexibly recomputed within 100 ms to accommodate online modifications to task goals.

The evolution of a stratified turbulent cloud

Localized regions of turbulence, or turbulent clouds, in a stratified fluid are the subject of this study, which focuses on the edge dynamics occurring between the turbulence and the surrounding quiescent region. Through laboratory experiments and numerical simulations of stratified turbulent clouds, we confirm that the edge dynamics can be subdivided into materially driven intrusions and horizontally travelling internal wave-packets. Three-dimensional visualizations show that the internal gravity wave-packets are in fact large-scale pancake structures that grow out of the turbulent cloud into the adjacent quiescent region. The wave-packets were tracked in time, and it is found that their speed obeys the group speed relation for linear internal gravity waves. The energetics of the propagating waves, which include waveforms that are inclined with respect to the horizontal, are also considered and it is found that, after a period of two eddy turnover times, the internal gravity waves carry up to 16 % of the cloud kinetic energy into the initially quiescent region. Turbulent events in nature are often in the form of decaying turbulent clouds, and it is therefore suggested that internal gravity waves radiated from an initial cloud could play a significant role in the reorganization of energy and momentum in the atmosphere and oceans.©2013 Cambridge University Press.

Evolution of vertical phase separation in P3HT:PCBM thin films induced by thermal annealing

The achievement of the desirable morphology at the nanometer scale of bulk heterojunctions consisting of a conjugated polymer with fullerene derivatives is a prerequisite in order to optimize the power conversion efficiency of organic solar cells. The various experimental conditions such as the choice of solvent, drying rates and annealing have been found to significantly affect the blend morphology and the final performance of the photovoltaic device. In this work, we focus on the effects of post deposition thermal annealing at 140 °C on the blend morphology, the optical and structural properties of bulk heterojunctions that consist of poly(3-hexylthiophene) (P3HT) and a methanofullerene derivative (PCBM). The post thermal annealing modifies the distribution of the P3HT and the PCBM inside the blend films, as it has been found by Spectroscopic Ellipsometry studies in the visible to far-ultraviolet spectral range. Phase separation was identified by AFM and GIXRD as a result of a slow drying process which took place after the spin coating process. The increase of the annealing time resulted to a significant increase of the P3HT crystallinity at the top regions of the blend films. © 2011 Elsevier B.V. All rights reserved.