Related papers: Stone-Wales Transformation Paths in Fullerene C60
For an overdamped colloidal particle diffusing in a fluid in a controllable, virtual potential, we show that arbitrarily slow transformations, produced by smooth deformations of a double-well potential, need not be reversible. The…
Two-dimensional van der Waals (vdW) materials hold the potential for ultra-scaled ferroelectric (FE) devices due to their silicon compatibility and robust polarization down to atomic scale. However, the inherently weak vdW interactions…
The work discusses specifics of phase transitions for metastable states of substances. The objects of condensed media physics are primarily equilibrium states of substances with metastable phases viewed as an exception, while the…
To understand the phenomenon of fullerene growth during its synthesis, an attempt is made to model a minimum energy growth route using a semi-empirical quantum mechanics code. C2 addition leading to C60 was modelled and three main routes,…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
Using large-scale kinetic Monte-Carlo (KMC) simulations, we investigate the non-equilibrium surface growth of the fullerene C$_{60}$. Recently, we have presented a self-consistent set of energy barriers that describes the nucleation and…
The time evolution of the adiabatic piston problem and the consequences of its stochastic motion are investigated. The model is a one dimensional piston of mass $M$ separating two ideal fluids made of point particles with mass $m\ll M$. For…
The interaction of Stone-Wales topological defects in graphene has been studied through computer simulation. This simulation has revealed configurations of two defects with energies below the energy of a monolayer with two spaced defects.…
On the basis of an analysis of theoretical and numerical studies of model systems, and of experiments on superconductivity in doped C$_{60}$, polyacenes, and the cuprate high temperature superconductors, we propose that a purely electronic…
One-dimensional Indium wires grown on Si(111) substrates, which are metallic at high temperatures, become insulating below $\sim100$ K due to the formation of a Charge Density Wave (CDW). The physics of this transition is not conventional…
This paper provides an overview of the research on the metastable behavior of the Ising model. We analyze the transition times from the set of metastable states to the set of the stable states by identifying the critical configurations that…
A model has been developed that illustrates the emergence of C60 from the condensing carbon vapor. It is shown to depend upon the decreasing heats of formation for larger cages, exponentially increasing number of isomers for fullerenes that…
Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this…
The temperature dependance of the action in the thin-wall and thick-wall limits is obtained analytically for the $\phi^6$ scalar potential. The nature of the phase transition is investigated from the quantum tunnelling regime at low…
Development of new greenhouse gas scavengers is actively pursued nowadays. Volatility caused solvent consumption and significant regeneration costs associated with the aqueous amine solutions motivate search for more technologically and…
The barriers between metastable states near the glass transition of a random heteropolymer are studied using replicas by describing inhomogeneous states. The instanton solution for a replica space free energy functional is found numerically…
We analyze a new fundamental building block for monolithic nanoengineering on graphene: the Inverse-Stone-Thrower-Wales (ISTW) defect. The ISTW is formed from a pair of joined pentagonal carbon rings placed between a pair of heptagonal…
Transition metal dichalcogenide (TMD) bilayers with an interlayer twist exhibit a moire super-period, whose effects can manifest in both structural and electronic properties. Atomic displacements can lead to reconstruction into domains of…
Metastable phases may be spontaneously formed from other metastable phases through nucleation. Here we demonstrate the spontaneous formation of a metastable phase from an unstable equilibrium by spinodal decomposition, which leads to a…
Transition metal diborides crystallise in the $\alpha$, $\gamma$, or $\omega$ type structure, in which pure transition metal layers alternate with pure boron layers stacked along the hexagonal [0001] axis. Here we view the prototypes as…