Related papers: Stone-Wales Transformation Paths in Fullerene C60
The processes of defect formation and annealing in fullerene C60 at T=(4000-6000)K are studied by the molecular dynamics technique with a tight-binding potential. The cluster lifetime until fragmentation due to the loss of a C2 dimer has…
The effect of different possible kinds of motion of the exciting walls (cyclic, random, ...) is investigated on the dynamics of a granular dissipative gas. It is shown that the real distribution of speed of the wall which interact with the…
The excited short-lived volume-localized electron quantum levels (VLELs) existent due to Coulomb potential well inside positive ion are analytically investigated in the paper using a simplified spherical fullerene model. Hence, those…
The polymer phases of AC60 form distinct crystal structures characterized by the mutual orientations of the (C60-)n chains. We show that the direct electric quadrupole interaction between chains always favors the orthorhombic structure Pmnn…
A lattice-gas model is suggested for describing the ordering phenomena in alkali-metal fullerides of face-centered-cubic structure assuming the electric charge of alkali ions residing in either octahedral or tetrahedral interstitial sites…
Using Monte Carlo simulations we show that the three-dimensional Ising model with four-spin (plaquette) interactions has some characteristic glassy features. The model dynamically generates diverging energy barriers, which give rise to slow…
Phase transformations can be difficult to characterize at the microscopic level due to the inability to directly observe individual atomic motions. Model colloidal systems, by contrast, permit the direct observation of individual particle…
The dynamics of the Bose-Einstein condensate (BEC) in a double-well potential is of- ten investigated under the mean-field theory (MFT). This works successfully for large particle numbers with dynamical stability. But for dynamical…
We model the dynamics of two species of bosonic atoms trapped in an optical lattice within the Mott regime by mapping the system onto a spin model. A field gradient breaks the cloud into two domains. We study how the domain wall evolves…
Based on the Monte Carlo kinetic method, we investigated the formation mechanisms of periodical modulations arising along the length of one-dimensional structures. The evolution of initially cylindrical nanowires/slabs at temperatures lower…
We discuss adiabatic quantum phenomena at a level crossing. Given a path in the parameter space which passes through a degeneracy point, we find a criterion which determines whether the adiabaticity condition can be satisfied. For paths…
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…
The mechanical behavior of two-dimensional (2D) materials across 2D phase changes is unknown, and the finite temperature ($T$) elasticity of paradigmatic SnSe monolayers -- ferroelectric 2D materials turning paraelectric as their unit cell…
Electron-beam dispersion of pressed fullerite C60 targets in vacuum leads to the deposition of thin films containing polymeric forms of C60. The aim of the present report is to analyze physical-chemical processes in the fullerite target…
The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy…
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,…
Materials that undergo reversible metal-insulator transitions are obvious candidates for new generations of devices. For such potential to be realised, the underlying microscopic mechanisms of such transitions must be fully determined. In…
We introduce a thermal dynamics for the Ising ferromagnet where the energy variations occurring within the system exhibit a diffusive character typical of thermalizing agents such as e.g. localized excitations. Time evolution is provided by…
The pressure-induced structural transition in fcc C$_{60}$ fullerene by shock compression and rapid quenching is investigated by a semi-empirical tight-binding molecular dynamics simulation, adopting a constant-pressure scheme and a method…
Structural rearrangement of polystyrene colloidal crystals under dry sintering conditions has been revealed by in situ grazing incidence X-ray scattering. Measured diffraction patterns were analysed using distorted wave Born approximation…