Related papers: A soft ellipsoid potential for biaxial molecules :…
We study a class of models for \sbentcore molecules using low density version of Local Density Functional Theory. Arms of the molecules are modeled using two- and three Gay-Berne (GB) interacting units of uniaxial and biaxial symmetry.…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
Hard models for particle interactions have played a crucial role in the understanding of the structure of condensed matter. In particular, they help to explain the formation of oriented phases in liquids made of anisotropic molecules or…
This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…
We calculate the quartet potential energy surface for Li+NH and use it to calculate elastic and spin-relaxation cross sections for collisions in magnetically trappable spin-stretched states. The potential is strongly anisotropic but…
The microscopic structure of several amorphous substances often reveals complex patterns such as medium- or long-range order, spatial heterogeneity, and even local polycrystallinity. To capture all these features, models usually incorporate…
We have studied the properties of biaxial particles interacting via an anisotropic pair potential, involving second rank quadrupolar and third rank octupolar coupling terms, using Monte Carlo simulation. The particles occupy the sites of a…
We use a simple and efficient computer model to investigate the physical properties of bilayer membranes. The amphiphilic molecules are modeled as short rigid trimers with finite range pair interactions between them. The pair potentials…
Particles added to a fluid interface can be used as a surface stabilizer in the food, oil and cosmetic industries. As an alternative to rigid particles, it is promising to consider highly deformable particles that can adapt their…
Isotropic pair potentials that are bounded at the origin have been proposed from time to time as models of the effective interaction between macromolecules of interest in the chemical physics of soft matter. We present a thorough study of…
Systems of soft-core particles interacting via a two-scale potential are studied. The potential is responsible for peaks in the structure factor of the liquid state at two different but comparable length scales, and a similar bimodal…
Nematic shells are colloidal particles coated with nematic liquid crystal molecules which may freely glide and rotate on the colloid's surface while keeping their long axis on the local tangent plane. We describe the nematic order on a…
The effect of the density dependent symmetry energy on elliptical flow is studied using isospin-dependent quantum molecular dynamics model(IQMD). We have used the reduced isospin-dependent cross-section with soft equation of state to study…
A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…
A static quadrupole potential breaks the cylindrical symmetry of the effective potential of a linear rf trap. For a one-component fluid plasma at low temperature, the resulting equilibrium charge distribution is predicted to be an…
The stability of liquid crystal phases in presence of small amount of non-mesogenic impurities is of general interest for a large spectrum of technological applications and in the theories of binary mixtures. Starting from the known phase…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
Particle stabilized emulsions have received an enormous interest in the recent past, but our understanding of the dynamics of emulsion formation is still limited. For simple spherical particles, the time dependent growth of fluid domains is…
In the present paper, using a molecular dynamics simulation, we study a nature of melting of a two-dimensional ($2D$) system of classical particles interacting through a purely repulsive isotropic core-softened potential which is used for…