5,383 research outputs found
Modelling the evaporation of thin films of colloidal suspensions using Dynamical Density Functional Theory
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
Depinning of three-dimensional drops from wettability defects
Substrate defects crucially influence the onset of sliding drop motion under
lateral driving. A finite force is necessary to overcome the pinning influence
even of microscale heterogeneities. The depinning dynamics of three-dimensional
drops is studied for hydrophilic and hydrophobic wettability defects using a
long-wave evolution equation for the film thickness profile. It is found that
the nature of the depinning transition explains the experimentally observed
stick-slip motion.Comment: 6 pages, 9 figures, submitted to ep
Solidification fronts in supercooled liquids: how rapid fronts can lead to disordered glassy solids
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 figure
Dewetting of thin films on heterogeneous substrates: Pinning vs. coarsening
We study a model for a thin liquid film dewetting from a periodic
heterogeneous substrate (template). The amplitude and periodicity of a striped
template heterogeneity necessary to obtain a stable periodic stripe pattern,
i.e. pinning, are computed. This requires a stabilization of the longitudinal
and transversal modes driving the typical coarsening dynamics during dewetting
of a thin film on a homogeneous substrate. If the heterogeneity has a larger
spatial period than the critical dewetting mode, weak heterogeneities are
sufficient for pinning. A large region of coexistence between coarsening
dynamics and pinning is found.Comment: 4 pages, 4 figure
Stability analysis of polarized domains
Polarized ferrofluids, lipid monolayers and magnetic bubbles form domains
with deformable boundaries. Stability analysis of these domains depends on a
family of nontrivial integrals. We present a closed form evaluation of these
integrals as a combination of Legendre functions. This result allows exact and
explicit formulae for stability thresholds and growth rates of individual
modes. We also evaluate asymptotic behavior in several interesting limits.Comment: 12 pages, 3 figures, Late
Infants’ preference for social interactions increases from 7 to 13 months of age
This study examined 7-to-13.5-month-old middle-class Western infants’ visual orienting to third-party interactions in parallel with their social attention behavior during own social interactions (Leipzig, Germany). In Experiment 1, 9.5- to-11-month-olds (n = 20) looked longer than 7- to-8.5-month-olds (n = 20) at videos showing two adults interacting with one another when simultaneously presented with a scene showing two adults acting individually. Moreover, older infants showed higher social engagement (including joint attention) during parent–infant free play. Experiment 2 replicated this age-related increase in both measures and showed that it follows continuous trajectories from 7 to 13.5 months (n = 50). This suggests that infants’ attentional orienting to others’ interactions coincides with parallel developments in their social attention behavior during own social interactions
Liquid drops on a surface: using density functional theory to calculate the binding potential and drop profiles and comparing with results from mesoscopic modelling
The contribution to the free energy for a film of liquid of thickness on
a solid surface, due to the interactions between the solid-liquid and
liquid-gas interfaces is given by the binding potential, . The precise
form of determines whether or not the liquid wets the surface. Note that
differentiating gives the Derjaguin or disjoining pressure. We develop a
microscopic density functional theory (DFT) based method for calculating
, allowing us to relate the form of to the nature of the molecular
interactions in the system. We present results based on using a simple lattice
gas model, to demonstrate the procedure. In order to describe the static and
dynamic behaviour of non-uniform liquid films and drops on surfaces, a
mesoscopic free energy based on is often used. We calculate such
equilibrium film height profiles and also directly calculate using DFT the
corresponding density profiles for liquid drops on surfaces. Comparing
quantities such as the contact angle and also the shape of the drops, we find
good agreement between the two methods. We also study in detail the effect on
of truncating the range of the dispersion forces, both those between the
fluid molecules and those between the fluid and wall. We find that truncating
can have a significant effect on and the associated wetting behaviour of
the fluid.Comment: 16 pages, 13 fig
Quantitative assignment of reaction directionality in a multicompartmental human metabolic reconstruction.
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This article is open access.Reaction directionality is a key constraint in the modeling of genome-scale metabolic networks. We thermodynamically constrained reaction directionality in a multicompartmental genome-scale model of human metabolism, Recon 1, by calculating, in vivo, standard transformed reaction Gibbs energy as a function of compartment-specific pH, electrical potential, and ionic strength. We show that compartmental pH is an important determinant of thermodynamically determined reaction directionality. The effects of pH on transport reaction thermodynamics are only seen to their full extent when metabolites are represented as pseudoisomer groups of multiple protonated species. We accurately predict the irreversibility of 387 reactions, with detailed propagation of uncertainty in input data, and manually curate the literature to resolve conflicting directionality assignments. In at least half of all cases, a prediction of a reversible reaction directionality is due to the paucity of compartment-specific quantitative metabolomic data, with remaining cases due to uncertainty in estimation of standard reaction Gibbs energy. This study points to the pressing need for 1), quantitative metabolomic data, and 2), experimental measurement of thermochemical properties for human metabolites.Icelandic Research Fund/00406022
eu-repo/grantAgreement/EC/FP7/23281
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