We present an alternative derivation of the dynamical density functional theory for one body profile a classical fluid developed by Marconi and Tarazona [J. Chem. Phys., 110, 8032 (1999)]. Our elucidates further some physical assumptions inherent in shows that it is not restricted to fluids composed particles interacting solely via pair potentials; rather applies general, multi-body interactions. The starting point our Smoluchowski equation therefore Brownian as such applicable colloidal...

Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive large separations are known to exhibit unusual phase behavior, including stable inhomogeneous phases. Here we report joint simulation theoretical study of such fluid, focusing on relationship between liquid-vapor transition line any new The diagram studied as function amplitude attraction for certain fixed long ranged repulsion. We find that effect repulsion substitute critical...

Bacterial cellulose (BC) has interesting properties including high crystallinity, tensile strength, degree of polymerisation, water holding capacity (98%) and an overall attractive 3D nanofibrillar structure. The mechanical electrochemical can be tailored upon incomplete BC dehydration. Under different contents (100, 80 50%), the rheology electrochemistry were evaluated, showing a progressive stiffening increasing resistance with lower capacitance after partial loss was mathematically...

We present a theory for the interfacial wetting phase behavior of binary liquid mixtures on rigid solid substrates, applicable to both miscible and immiscible mixtures. In particular, we calculate binding potential as function adsorptions, i.e., excess amounts each two liquids at substrate. The fully describes corresponding thermodynamics. Our approach is based classical density functional theory. Binary can exhibit complex bulk behavior, including liquid-liquid vapor-liquid separation,...

We aim to clarify confusions in the literature as whether or not dynamical density functional theories for one-body of a classical Brownian fluid should contain stochastic noise term.We point out that well deterministic equation motion distribution can be justified, depending on how is defined -i.e.whether it an ensemble averaged spatially and/or temporally coarse grained distribution.

Colloidal particles that are confined to an interface such as the air-water example of a two-dimensional fluid. Such dispersions have been observed spontaneously form cluster and stripe morphologies in certain systems with isotropic pair potentials between particles, due fact interaction colloids has competing attraction repulsion over different length scales. Here we present simple density functional theory for model The predicts bulk phase diagram exhibiting cluster, stripe, bubble...

In recent years, a number of dynamical density functional theories (DDFTs) have been developed for describing the dynamics one-body both colloidal and atomic fluids. case, particles are assumed to stochastic equations motion exist case when particle is overdamped also in regime where inertial effects relevant. this paper, we extend theory explore connections between microscopic DDFT from continuum fluid mechanics. particular, starting Kramers equation, which governs phase space probability...

The conserved Swift-Hohenberg equation with cubic nonlinearity provides the simplest microscopic description of thermodynamic transition from a fluid state to crystalline state. resulting phase field crystal model describes variety spatially localized structures, in addition different extended periodic structures. location these structures temperature versus mean order parameter plane is determined using combination numerical continuation one dimension and direct simulation two three...

A two-dimensional system of soft particles interacting via a two-length-scale potential is studied. Density functional theory and Brownian dynamics simulations reveal fluid phase two crystalline phases with different lattice spacing. Of these the larger spacing can form an exotic periodic state fraction highly mobile particles: crystal liquid. Near transition between this smaller phase, quasicrystalline structures may be created by competition linear instability at one scale nonlinear...

Using a mean-field equation of state we calculate the density-concentration phase diagrams for binary mixture repulsive Gaussian core particles over range size ratios. A simple density functional (DFT) approach, equivalent to random approximation, is used surface tension and profiles interface between demixed fluid phases mixture. For certain coexisting states oscillations are found in on both sides interface, i.e., approaching bulk phases. The form determined by asymptotic decay total...

Using a simple mean field density functional theory (DFT), the authors investigate structure and phase behavior of model colloidal fluid composed particles interacting via pair potential which has hard core diameter σ, is attractive Yukawa at intermediate separations, repulsive large separations. The analyze form asymptotic decay bulk correlation functions, comparing results from DFT with those self-consistent Ornstein-Zernike approximation (SCOZA). In both theories find rich crossover...

We study the phase behaviour of a fluid composed particles which interact via pair potential that is repulsive for large inter-particle distances, attractive at intermediate distances and strongly short (the have hard core). As well as exhibiting gas–liquid separation, this system also exhibits transitions from uniform phases to modulated inhomogeneous phases. Starting microscopic density functional theory, we develop an order parameter theory transition in examine detail behaviour. The...

We describe the formation of deposition patterns that are observed in many different experiments where a three-phase contact line volatile nanoparticle suspension or polymer solution recedes. A dynamical model based on long-wave approximation predicts irregular and regular due to self-organized pinning-depinning cycles corresponding stick-slip motion line. analyze how pattern properties depend evaporation rate solute concentration.

We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of particles that constitute fluid. Our provides means calculating van Hove distribution function by treating its self and distinct parts as two components binary fluid mixture, with `self' component having only one particle, `distinct' consisting all other particles, using DDFT to calculate profiles components. apply this bulk Brownian hard spheres compare...

When a film of liquid suspension nanoparticles or polymer solution is deposited on surface, it may dewet from the surface and as solvent evaporates solute particles/polymer can be in regular line patterns. In this paper we explore hydrodynamic model for process that based long-wave approximation predicts deposition irregular This due to self-organised pinning–depinning cycle resembles stick–slip motion contact line. We present detailed analysis how pattern properties depend quantities such...

We investigate the formation and stability of icosahedral quasicrystalline structures using a dynamic phase field crystal model. Nonlinear interactions between density waves at two length scales stabilize three-dimensional quasicrystals. determine diagram parameter values required for quasicrystal to be global minimum free energy state. demonstrate that traits promote two-dimensional quasicrystals are extant in three dimensions, highlight characteristics soft matter formation.

Systems of soft-core particles interacting via a two-scale potential are studied. The is responsible for peaks in the structure factor liquid state at two different but comparable length scales, and similar bimodal evident dispersion relation. Dynamical density functional theory dimensions used to identify novel states this system, crystal-liquid state, which majority located on lattice sites minority remains free so behaves like liquid, 12-fold quasicrystalline state. Both present even...

Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence approximations. Standard derivations neglect term form $\nabla\cdot[n\nabla L n]$, where $n$ is scaled profile and $L$ linear operator. We show that this makes significant contribution to stability crystal, dropping forces another approximation, replacing logarithmic ideal gas free energy with its truncated Taylor expansion,...

The coffee ring effect regularly occurs during the evaporation of colloidal droplets and is often undesirable. Here we show that adding a specific concentration surfactant can mitigate this effect. We have conducted experiments on aqueous suspensions carbon nanotubes were prepared with cationic dodecyltrimethylammonium bromide added at 0.2, 0.5, 1, 2, 5, 10 times critical micelle concentration. Colloidal deposited candidate substrates for printed electronics varying wetting characteristics:...

Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids.The has the feature that it requires as input Helmholtz free energy equilibrium theory.This means that, given reliable functional, correct fluid profile is guaranteed.We show when isothermal compressibility small, DDFT generates value for speed sound in dense liquid.We also interpret equation coarse grained and can be used (making further approximations) standard...

We show that one may view the self-part and distinct-part of van Hove dynamic correlation function a simple fluid as one-body density distributions binary mixture evolve in time according to dynamical functional theory. For test case soft-core Brownian particles theory yields results for agree quantitatively with those our dynamics computer simulations. At sufficiently high densities free energy landscape underlying exhibits barrier mean particle displacement, shedding new light on nature...

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 phase changes. These range from microscopic discrete stochastic theories mesoscopic continuous deterministic descriptions. In particular, we (i) a kinetic Monte Carlo model, (ii) dynamical density functional theory (iii) hydrodynamic film model. Models are employed formation...

We determine the speed of a crystallization (or, more generally, solidification) front as it advances into uniform liquid phase after system has been quenched crystalline region diagram. calculate by assuming dynamical density functional theory (DDFT) model for and applying marginal stability criterion. Our results also apply to field crystal (PFC) models solidification. As solidification unstable phase, profile behind advancing develops modulations wavelength these is dynamically chosen...

In this paper, we propose several models that describe the dynamics of liquid films which are covered by a high concentration layer insoluble surfactant. First, briefly review “classical” hydrodynamic form coupled evolution equations for film height and surfactant well established small concentrations. Then re-formulate basic model as gradient based on an underlying free energy functional accounts wettability capillarity. Based re-formulation in framework nonequilibrium thermodynamics,...

Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid soft-core particles. We find that can advance via two different mechanisms, depending on depth quench. For shallow quenches, front propagation is nonlinear mechanism. deep governed by linear mechanism and in this regime are able to determine marginal stability analysis. modulations generated behind have characteristic scale differs from wavelength...