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We determine the speed of a crystallisation (or more generally, a solidification) front as it advances into the uniform liquid phase after the system has been quenched into the crystalline region of the phase diagram. We calculate the front speed by assuming a dynamical density functional theory model for the system and applying a marginal stability criterion. Our results also apply to phase field crystal (PFC) models of solidification. As the solidification front advances into the unstable liquid phase, the density profile behind the advancing front develops density modulations and the wavelength of these modulations is a dynamically chosen quantity. For shallow quenches, the selected wavelength is precisely that of the crystalline phase and so well-ordered crystalline states are formed. However, when the system is deeply quenched, we find that this wavelength can be quite different from that of the crystal, so that the solidification front naturally generates disorder in the system. Significant rearrangement and ageing must subsequently occur for the system to form the regular well-ordered crystal that corresponds to the free energy minimum. Additional disorder is introduced whenever a front develops from random initial conditions. We illustrate these findings with results obtained from the PFC., Comment: 14 pages, 7 figures

Recent experiments have shown that various structures may be formed during the evaporative dewetting of thin films of colloidal suspensions. Nano-particle deposits of strongly branched `flower-like', labyrinthine and network structures are observed. They are caused by the different transport processes and the rich phase behaviour of the system. We develop a model for the system, based on a dynamical density functional theory, which reproduces these structures. The model is employed to determine the influences of the solvent evaporation and of the diffusion of the colloidal particles and of the liquid over the surface. Finally, we investigate the conditions needed for `liquid-particle' phase separation to occur and discuss its effect on the self-organised nano-structures.

The Gaia satellite is a high-precision astrometry, photometry and spectroscopic ESA cornerstone mission, currently scheduled for launch in 2012. Its primary science drivers are the composition, formation and evolution of the Galaxy. Gaia will achieve its unprecedented accuracy requirements with detailed calibration and correction for CCD radiation damage and CCD geometric distortion. In this paper, the third of the series, we present our 3D Silvaco ATLAS model of the Gaia e2v CCD91-72 pixel. We publish e2v's design model predictions for the capacities of one of Gaia's pixel features, the supplementary buried channel (SBC), for the first time. Kohley et al. (2009) measured the SBC capacities of a Gaia CCD to be an order of magnitude smaller than e2v's design. We have found the SBC doping widths that yield these measured SBC capacities. The widths are systematically 2 {\mu}m offset to the nominal widths. These offsets appear to be uncalibrated systematic offsets in e2v photolithography, which could either be due to systematic stitch alignment offsets or lateral ABD shield doping diffusion. The range of SBC capacities were used to derive the worst-case random stitch error between two pixel features within a stitch block to be \pm 0.25 {\mu}m, which cannot explain the systematic offsets. It is beyond the scope of our pixel model to provide the manufacturing reason for the range of SBC capacities, so it does not allow us to predict how representative the tested CCD is. This open question has implications for Gaia's radiation damage and geometric calibration models., Comment: 14 pages, 7 figures, appearing in Proc. of SPIE Astronomical Telescopes and Instrumentation (High Energy, Optical, and Infrared Detectors for Astronomy IV), 27-30 June 2010, San Diego, USA

Gaia will only achieve its unprecedented measurement accuracy requirements with detailed calibration and correction for radiation damage. We present our Silvaco 3D engineering software model of the Gaia CCD pixel and two of its applications for Gaia: (1) physically interpreting supplementary buried channel (SBC) capacity measurements (pocket-pumping and first pixel response) in terms of e2v manufacturing doping alignment tolerances; and (2) deriving electron densities within a charge packet as a function of the number of constituent electrons and 3D position within the charge packet as input to microscopic models being developed to simulate radiation damage., Comment: 4 pages, 3 figures, contributed poster, appearing in proceedings of the ELSA conference: Gaia, at the frontiers of astrometry, 7-11 June 2010, S\`evres, Paris

Recent experiments have shown that the striking structure formation in dewetting films of evaporating colloidal nanoparticle suspensions occurs in an ultrathin `postcursor' layer that is left behind by a mesoscopic dewetting front. Various phase change and transport processes occur in the postcursor layer, that may lead to nanoparticle deposits in the form of labyrinthine, network or strongly branched `finger' structures. We develop a versatile dynamical density functional theory to model this system which captures all these structures and may be employed to investigate the influence of evaporation/condensation, nanoparticle transport and solute transport in a differentiated way. We highlight, in particular, the influence of the subtle interplay of decomposition in the layer and contact line motion on the observed particle-induced transverse instability of the dewetting front., Comment: 5 pages, 5 figures

We review recent experiments on dewetting thin films of evaporating colloidal nanoparticle suspensions (nanofluids) and discuss several theoretical approaches to describe the ongoing processes including coupled transport and phase changes. These approaches range from microscopic discrete stochastic theories to mesoscopic continuous deterministic descriptions. In particular, we describe (i) a microscopic kinetic Monte Carlo model, (ii) a dynamical density functional theory and (iii) a hydrodynamic thin film model. Models (i) and (ii) are employed to discuss the formation of polygonal networks, spinodal and branched structures resulting from the dewetting of an ultrathin 'postcursor film' that remains behind a mesoscopic dewetting front. We highlight, in particular, the presence of a transverse instability in the evaporative dewetting front, which results in highly branched fingering structures. The subtle interplay of decomposition in the film and contact line motion is discussed. Finally, we discuss a simple thin film model (iii) of the hydrodynamics on the mesoscale. We employ coupled evolution equations for the film thickness profile and mean particle concentration. The model is used to discuss the self-pinning and depinning of a contact line related to the 'coffee-stain' effect. In the course of the review we discuss the advantages and limitations of the different theories, as well as possible future developments and extensions., Comment: 33 pages, 8 figures

The Gaia satellite is a high-precision astrometry, photometry and spectroscopic ESA cornerstone mission, currently scheduled for launch in 2012. Its primary science drivers are the composition, formation and evolution of the Galaxy. Gaia will achieve its unprecedented positional accuracy requirements with detailed calibration and correction for radiation damage. At L2, protons cause displacement damage in the silicon of CCDs. The resulting traps capture and emit electrons from passing charge packets in the CCD pixel, distorting the image PSF and biasing its centroid. Microscopic models of Gaia's CCDs are being developed to simulate this effect. The key to calculating the probability of an electron being captured by a trap is the 3D electron density within each CCD pixel. However, this has not been physically modelled for the Gaia CCD pixels. In Seabroke, Holland & Cropper (2008), the first paper of this series, we motivated the need for such specialised 3D device modelling and outlined how its future results will fit into Gaia's overall radiation calibration strategy. In this paper, the second of the series, we present our first results using Silvaco's physics-based, engineering software: the ATLAS device simulation framework. Inputting a doping profile, pixel geometry and materials into ATLAS and comparing the results to other simulations reveals that ATLAS has a free parameter, fixed oxide charge, that needs to be calibrated. ATLAS is successfully benchmarked against other simulations and measurements of a test device, identifying how to use it to model Gaia pixels and highlighting the effect of different doping approximations., Comment: 12 pages, 6 figures, appearing in Proc. of SPIE Optics and Photonics Conference (Focal Plane Arrays for Space telescopes IV), 2-6 August 2009, San Diego, USA

In a recent letter, Govaert et al. examined the relationship between strain hardening modulus $G_r$ and flow stress $\sigma_{flow}$ for five different glassy polymers. In each case, results for $G_r$ at different strain rates or different temperatures were linearly related to the flow stress. They suggested that this linear relation was inconsistent with simulations. Data from previous publications and new results are presented to show that simulations also yield a linear relation between modulus and flow stress. Possible explanations for the change in the ratio of modulus to flow stress with temperature and strain rate are discussed., Comment: 8 pages, 2 figures: clarified arguments on linear proportionality. Accepted for publication in J. Poly. Sci Part B - Polym. Phys

Finite element methods are used to study non-adhesive, frictionless contact between elastic solids with self-affine surfaces. We find that the total contact area rises linearly with load at small loads. The mean pressure in the contact regions is independent of load and proportional to the rms slope of the surface. The constant of proportionality is nearly independent of Poisson ratio and roughness exponent and lies between previous analytic predictions. The contact morphology is also analyzed. Connected contact regions have a fractal area and perimeter. The probability of finding a cluster of area $a_c$ drops as $a_c^{-\tau}$ where $\tau $ increases with decreasing roughness exponent. The distribution of pressures shows an exponential tail that is also found in many jammed systems. These results are contrasted to simpler models and experiment., Comment: 13 pages, 15 figures. Replaced after changed in response to referee comments. Final two figures changed

A microscopic theory for the ubiquitous phenomenon of static friction is presented. Interactions between two surfaces are modeled by an energy penalty that increases exponentially with the degree of surface overlap. The resulting static friction is proportional to load, in accordance with Amontons' laws. However the friction coefficient between bare surfaces vanishes as the area of individual contacts grows, except in the rare case of commensurate surfaces. An area independent friction coefficient is obtained for any surface geometry when an adsorbed layer of mobile atoms is introduced between the surfaces. The predictions from our simple analytic model are confirmed by atomistically detailed molecular dynamics simulations., Comment: 4 pages 4 figures