Related papers: Reflection of Phase Anisotropy on Molecule
We have analyzed the expressed manifestation of the anisotropy of surface energy density in the dynamics of ultrathin nanowires, which break up into disjointed clusters when annealed below their melting temperature. The breakup process is…
The first order phase transition of a water cluster confined in a dynamic single-walled carbon nanotube is investigated using a classical molecular dynamics (MD) method. The formation of ice-nanotube is monitored through the structure…
For isotropic fluids, classical nucleation theory predicts the nucleation rate, barrier height and critical droplet size by accounting for the competition between bulk energy and interfacial tension. The nucleation process in liquid…
Collections of persistently moving active particles are an example of a nonequilibrium heat bath. One way to study the nature of nonequilibrium fluctuations in such systems is to follow the dynamics of an embedded probe particle. With this…
The effect of rough walls on the phase behaviour of a confined liquid crystal (LC) fluid is studied using constant pressure Monte Carlo simulations. The LC is modelled as a fluid of soft ellipsoidal molecules and the rough walls are…
Trajectories of a polarizable species (atoms or molecules) in the vicinity of a negatively charged nanoparticle (at a floating potential) are considered. The atoms are pulled into regions of strong electric field by polarization forces. The…
Dynamic simulations of the isotropic-nematic phase transformation of liquid crystal droplets under homeotropic anchoring are found to predict chiral symmetry-breaking dynamics. These observations occur when using material parameters for…
Cellular uptake of nanoplastics is instrumental in their environmental accumulation and transfer to humans through the food chain. Despite extensive studies using spherical plastic nanoparticles, the influence of the morphological…
A theoretical analysis of homeotropic alignment induced by nanoparticles (NPs) in a nematic liquid crystal (NLC) sample cell is presented. It is found that such alignment on the surface of a NP causes a change in the orientation of the…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
The size and composition distribution of an ensemble of aqueous organic droplets, evolving via nucleation and concomitant chemical aging, may be affected by the latent heat of condensation and enthalpy of heterogeneous chemical reactions,…
We investigate the phase behavior of colloidal suspensions of board-like particles under the effect of an external field and assess the still disputed occurrence of the biaxial nematic (N$_\text{B}$) liquid crystal phase. The external field…
By means of a molecular model, we examine hybrid nematic films with antagonistic anchoring angles where one of the surfaces is in the strong anchoring regime. If anchoring at the other surface is weak, and in the absence of wetting by the…
We followed the collective atomic-scale motion of Na atoms on a vicinal Cu(115) surface within a time scale of pico to nano-seconds using helium spin echo spectroscopy. The well defined stepped structure of Cu(115) allows us to study the…
We report on the magnetic properties and the crystallographic structure of the cobalt nanowire arrays as a function of their nanoscale dimensions. X-ray diffraction measurements show the appearance of an in-plane HCP-Co phase for nanowires…
A range of monodomain nematic liquid crystal elastomers containing differing proportions of photo-isomerisable mesogenic moieties, which turn from a rod-like to a kinked shape upon ultraviolet (UV) irradiation, was studied. Depending on the…
We have investigated the effect of molecular shape and charge asymmetry on the translation dynamics of confined hydrocarbon molecules having different shapes but similar kinetic diameters, inside ZSM-5 pores using molecular dynamics…
An analysis of the IR absorbance for the segmented functional groups of liquid crystal dimers: mesogen and linker, enabled the orientation order to be determined and information about the dipole interactions in the nematic and twist-bend…
Orientational dynamics in a liquid crystalline system near the isotropic-nematic (I-N) phase transition is studied using Molecular Dynamics simulations of the well-known Lebwohl-Lasher (LL) model. As the I-N transition temperature is…
Several experiments have reported that ferroelectric nanoparticles have drastic effects on nematic liquid crystals--increasing the isotropic-nematic transition temperature by about 5 K, and greatly increasing the sensitivity to applied…