相关论文: Crystal nucleation of hard spheres using molecular…

We investigate the crystallization rate of a one-component plasma (OCP) in the context of classical nucleation theory. From our derivation of the free energy of an arbitrary distribution of solid clusters embedded in a liquid phase, we…

Equations for the transformed volume fraction of a spherical particle with nucleation on its surface, both nonisothermal and isothermal, are derived in the framework of Kolmogorov method adapted for this problem. Characteristic parameters…

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic…

Electron scattering provides a powerful tool to determine charge distributions and transition densities of nuclei. This tool will soon be available for short-lived neutron-rich nuclei. [Purpose] Beyond mean-field methods have been…

Observations of accreting neutron stars are widely used to constrain the microphysical properties of superdense matter. A key ingredient in this analysis is the heating associated with nuclear reactions in the outer layers of the neutron…

Studies of nucleation generally focus on the properties of the critical cluster, but the presence of defects within the crystal lattice means that the population of nuclei necessarily evolve through a distribution of pre-critical clusters…

Nucleation is the onset of a first-order phase transition by which a metastable phase transforms into a more stable one. Such a phase transition occurs when an initial system initially in equilibrium is destabilized by the change of an…

Large-scale cosmological simulations of galaxy formation currently do not resolve the densities at which molecular hydrogen forms, implying that the atomic-to-molecular transition must be modeled either on the fly or in postprocessing. We…

Our earlier Monte Carlo simulations of metastable supercooled-liquid and glass phases of Lennard-Jones atoms found several distinct signatures for identifying the glass transition boundary; i.e., the density, enthalpy, and pair distribution…

Classical nucleation theory is used to estimate the free-energy barrier to nucleation of the solid phase of particles interacting via a potential which has a short-ranged attraction. Due to the high interfacial tension between the fluid and…

A high precision method to determine fusion in the capture of $\alpha$-particles by nuclei is presented. For $\alpha$-capture by $^{40}{\rm Ca}$ and $^{44}{\rm Ca}$, such an approach gives (1) the parameters of the $\alpha$--nucleus…

The microscopic mechanisms involved in the formation/dissociation of methane hydrate confined at the nanometer scale are unraveled using advanced molecular modeling techniques combined with a mesoscale thermodynamic approach. By means of…

We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-centered cubic (fcc) and body-centered cubic (bcc) crystal phases…

In this work we study morphological characteristics of the critically-sized crystalline nuclei at initial stage of the shear-induced crystallization of a model single-component amorphous (glassy) system. These characteristics are estimated…

Classical nucleation theory has been recently reformulated based on fluctuating hydrodynamics [J.F. Lutsko and M.A. Dur\'{a}n-Olivencia, J. Chem. Phys. 138, 244908 (2013)]. The present work extends this effort to the case of nucleation in…

We numerically investigate nucleation processes in the transient dynamics of the two-dimensional complex Ginzburg-Landau equation towards its "frozen" state with quasi-stationary spiral structures. We study the transition kinetics from…

We theoretically investigate the nucleation of liquid droplets from vapor in the presence of a charged spherical particle. Due to field gradients, sufficiently close to the critical point of the vapor--gas system, the charge destabilizes…

The classical nucleation theory (CNT) concept of a nucleus as a fragment of the bulk new phase fails for nanosized nuclei. An extension of CNT taking into account the properties of the transition region between coexisting bulk phases is…

We discuss molecular cloud formation by large-scale supersonic compressions in the diffuse warm neutral medium (WNM). Initially, a shocked layer forms, and within it, a thin cold layer. An analytical model and high-resolution 1D simulations…

We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…