Related papers: Stability of Phase Coexistence in Atomic Clusters
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid such as water, surrounded by the gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapour…
The liquid-gas phase transition in finite nuclei is studied in a heated liquid-drop model where the nuclear drop is assumed to be in thermodynamic equilibrium with its own evaporated nucleonic vapor conserving the total baryon number and…
We simulate the melting of a 71 A diameter cluster of Cu. At low temperatures the crystal exhibits facets. With increasing temperatures the open facets pre-melt, the melted regions coalesce into a liquid envelope containing a crystalline…
Understanding how multi-component liquid mixtures undergo phase separation is central to elucidating biophysical organization in the cell. Here, combining analytical and numerical results, we characterise the dynamics of mixtures with…
Macroscopic theories of nucleation such as classical nucleation theory envision that clusters of the bulk stable phase form inside the bulk metastable phase. Molecular dynamics simulations are often used to elucidate nucleation mechanisms,…
We investigate phase coexistence in a weakly stochastic reaction-diffusion system without assuming a continuum description. Concretely, for $(2N+1)$ diffusion-coupled vessels in which a chemical reaction exhibiting bistability occurs, we…
Fluid phase equilibrium depends on the external constraints imposed on a system. In a closed system with fixed volume, depending on the average density, a vapor bubble may be stable, metastable, or unstable, with respect to the homogeneous…
We find a thermodynamic description of gas-liquid criticality that is different from van der Waals and mean-field theories. At the critical temperature there is no critical point; a liquid phase coexists with a vapor phase with densities…
Customarily, crystalline solids are defined to be {\em rigid} since they resist changes of shape determined by their boundaries. However, rigid solids cannot exist in the thermodynamic limit where boundaries become irrelevant. Particles in…
In a recent article [J. G. Wang, U. Dhumal, M. E. Zakhari, and R. N. Zia, AIChE Journal 72, e70275 (2026).], the authors discuss the absence of simulations of monodisperse hard spheres in which a metastable fluid spontaneously nucleates…
Chemical activity is known to affect phase coexistence and coarsening in liquid mixtures, most commonly through reaction-induced changes of intermolecular interactions. Here, we analyze a scenario in which chemical reactions regulate…
We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with $10^9$ atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent…
The mechanism of superstability of nanobubbles in liquid confirmed by many experimental studies is still in debate since the classical diffusion predicts their lifetime on the order of a few microseconds. In this work, we study the…
The observed stability of nanobubbles contradicts the well-known result in classical nucleation theory, that the critical radius is both microscopic and thermodynamically unstable. Here nanoscopic stability is shown to be the combined…
Phase separation, i.e., the coexistence of two different phases, is observed in many systems away from the coexistence curve of a first-order transition, leading to a stable heterogeneous phase or region. Examples include various quantum…
We show that metastable ring-shaped clusters can be constructed from two-dimensional quantum droplets in systems described by the Gross-Pitaevskii equations augmented with Lee-Huang-Yang quantum corrections. The clusters exhibit dynamical…
Linearly-sloped or `ramp' potentials belong to a class of core-softened models which possess a liquid-liquid critical point (LLCP) in addition to the usual liquid-gas critical point. Furthermore they exhibit thermodynamic anomalies in the…
We study the phase behavior of bowl-shaped particles using computer simulations. These particles were found experimentally to form a meta-stable worm-like fluid phase in which the bowl-shaped particles have a strong tendency to stack on top…
The stability and growth or dissolution of a single surface nanobubble on a chemically patterned surface are studied by Molecular Dynamics (MD) simulations of binary mixtures consisting of Lennard-Jones (LJ) particles. Our simulations…