Related papers: Orientational Phase Transition in Solid C_60: A Mo…
By means of non-adiabatic quantum molecular dynamics it is shown, that the amount of energy deposited into $\text{C}_{60}$ by a short laser field strongly depends on the molecular orientation with respect to the laser polarization…
A simple solid-on-solid model, proposed earlier to describe overlayer-induced faceting of bcc(111) surface, is applied to faceting of spherical surfaces covered by adsorbate monolayer. Monte Carlo simulation results show that morphology of…
We study the phase diagram of the spin-orbital model in both the weak and strong limits of the quartic spin-orbital exchange interaction. This allows us to study quantum phase transitions in the model and to approach from both sides the…
We consider a classical interacting dimer model which interpolates between the square lattice case and the triangular lattice case by tuning a chemical potential in the diagonal bonds. The interaction energy simply corresponds to the number…
The formation and dissociation of bosonic molecules in an optical lattice, formed by spin-1/2 fermionic atoms, is considered in the presence of an attractive nearest-neighbor interaction. A mean-field approximation reveals three different…
A mathematical model of plastic deformation in face-centered cubic (FCC) materials based on a balance model taking into account fundamental properties of deformation defects of a crystal lattice was developed. This model is based on a…
We show anisotropy of the dipole interaction between magnetic atoms or polar molecules can stabilize new quantum phases in an optical lattice. Using a well controlled numerical method based on the tensor network algorithm, we calculate…
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.…
Recent advances in moir\'e engineering motivate the study of lattice models of strongly-correlated electrons subjected to substantial orbital magnetic flux. We analyze the triangular lattice Hofstadter-Hubbard model at one-quarter flux…
We extend the phase-field approach to model the solidification of faceted materials. Our approach consists of using an approximate gamma-plot with rounded cusps that can approach arbitrarily closely the true gamma-plot with sharp cusps that…
A continuum model of crystalline solid equilibrium is presented in which the underlying periodic lattice structure is taken explicitly into account. This model also allows for both point and line defects in the bulk of the lattice and at…
Depending on the temperature, the C70 solid crystallizes in several structures. At high temperature (T > 340K), the ellipsoidal C70 molecule rotates freely in all directions and may be treated as a uniform thick spherical shell with inner…
We propose a theoretical description of possible orientational glass transition in solid molecular para-hydrogen and ortho-deuterium under pressure supposing that they are mixtures of J=0 and J=2 states of molecules. The theory uses the…
Using the classical density functional theory of freezing and Monte Carlo computer simulations, we explore the liquid-crystalline phase behavior of hard rectangles on flat and cylindrical manifolds. Moreover, we study the effect of a static…
We explore the relative stability of three possible orientations of cylinder-forming di-block copolymer on a sinusoidally corrugated substrate. The cylinders can be aligned either parallel to the substrate, with their long axis being…
Phyllotactic states are regular lattice-like structures on cylinders and are a botanical classification scheme. In this communication, we report a sequence of transitions between phyllotactic states for particles with a repulsive…
Solid-solid phase transitions are ubiquitous in nature, but the kinetic pathway of anisotropic particle systems remains elusive, where the coupling between translational and rotational motions plays a critical role in various kinetic…
We examine the ordering behavior of hard plate-like particle in a very narrow slit-like pore using the Parsons-Lee density functional theory and the restricted orientation approximation. We observe that the plates are orientationally…
It is demonstrated by analyzing real examples that phase transitions in layered crystals occur like all other solid-state phase transitions by nucleation and crystal growth, but have a specific morphology. There the nucleation is epitaxial,…
We study the 2D crystalline phases of paramagnetic colloidal particles with dipolar interactions and constrained on a periodic substrate. Combining theory, simulation, and experiments we demonstrate a new scenario of first-order phase…