Related papers: Mesophase Formation Stabilizes High-Purity Magic-S…
Semiconductor magic-size clusters (MSCs) are atomically precise nanoparticles exhibiting unique size-dependent properties, but their ultrasmall dimensions hinder structural characterization, limiting our understanding of their formation and…
We present the phase diagram of a system of mesogenic top-shaped molecules based on the Parsons- Lee density functional theory and Monte Carlo simulation. The molecules are modeled as a hard spherocylinder with a hard sphere embedded in its…
Process of relaxation of Lennard-Jones cluster with an intrinsic pore was investigated by molecular dynamics method for different phase states of an initial cluster. Strong dependence of pore relaxation character on the initial cluster…
In recent experiments involving PNIPAM copolymers it has been observed that stable spherical nanoparticles are being formed by association of several chains in poor aqueous solution instead of aggregation. This type of mesoscopic structures…
We study the formation of clusters consisting of several chains in dilute solutions of amphiphilic heteropolymers. By means of the Gaussian variational theory we show that in a region of the phase diagram within the conventional two-phase…
Nuclear star clusters (NSCs) are massive star clusters found ubiquitously in the centres of galaxies, from the dwarf regime to massive ellipticals and spirals. The fraction of nucleated galaxies is as high as $>$ 90 % at $M_{\text{gal}}…
Soft particles are known to overlap and form stable clusters that self-assemble into periodic crystalline phases with density-independent lattice constants. We use molecular dynamics simulations in two dimensions to demonstrate that,…
NaCl crystal nucleation from metastable solutions has long been considered to occur according to a single-step mechanism. Recent experimental observations suggest that NaCl crystals emerge from disordered intermediates which is seemingly at…
We model the stabilization of clusters and lattices of cuboidal particles with long-ranged magnetic dipolar and short-ranged surface interactions. Two realistic systems were considered: one with magnetization orientated in the [001]…
With numerical simulations of the mW model of water, we investigate the energetic stability of crystalline clusters for both Ice I (cubic and hexagonal ice) and for the metastable Ice 0 phase as a function of the cluster size. Under a large…
We investigate the self-assembly of amphiphilic nanocubes under rest and shear using molecular dynamics (MD) simulations and kinetic Monte Carlo (KMC) calculations. These particles combine both interaction and shape anisotropy, making them…
Crucial to gaining control over crystallisation in multicomponent materials or accurately modelling rheological behaviour of magma flows is to understand the mechanisms by which crystal nuclei form. The microscopic nature of such nuclei,…
In nanoparticle haloing, charged nanoparticles have been found to enhance the stability of colloidal suspensions by forming a non-adsorbing layer surrounding neutral colloids which induces an electrostatic repulsion between them. However,…
Soft spheres interacting via a hard core and range of attractive and repulsive "soft-shoulder" potentials self-assemble into clusters forming a variety of mesophases. We combine a mean field theory developed from a lattice model with a…
Coherent topologically close-packed nanoplates in magnesium alloys can effectively improve strength and creep resistance.However, the formation mechanisms of several metastable TCP nanoplates remain unclear, and the traditional…
Macrocellular silicone polymers are obtained after solidification of the continuous phase of a PDMS (polydimethylsiloxane) emulsion, which contains PEG (polyethylene glycol) drops of sub-millimetric dimensions. Coalescence of the liquid…
We report the formation of stable nanoparticle-polymer clusters obtained by electrostatic complexation. The nanoparticles placed under scrutiny are nanoceria (CeO2) coated by short poly(acrylic acid) moieties, whereas the polymers are…
We have performed Smoothed Particle Magneto-Hydrodynamics (SPMHD) calculations of colliding clouds to investigate the formation of massive stellar clusters, adopting a timestep criterion to prevent large divergence errors. We find that…
We report on the formation and the structural properties of supermicellar aggregates also called electrostatic complexes, made from mineral nanoparticles and polyelectrolyte-neutral block copolymers in aqueous solutions. The mineral…
We perform extensive monomer-resolved computer simulations of suitably-designed amphiphilic dendritic macromolecules over a broad range of densities, proving the existence and stability of cluster crystals formed in these systems, as…