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

A recently formulated description of homogeneous nucleation for Brownian particles in the over-damped limit based on fluctuating hydrodynamics is used to determine the nucleation pathway, characterized as the most likely path (MLP), for the…

We investigate the response of a system of hard spheres to two classes of perturbations over a range of densities spanning the fluid, crystalline, and glassy regimes within a molecular dynamics framework. Firstly, we consider the relaxation…

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations…

Nonequilibrium experiments of single biomolecules such as force-induced unfolding reveal details about a few degrees of freedom of a complex system. Molecular dynamics simulations can provide complementary information, but exploration of…

We present a consistent picture of tunnelling in field theory. Our results apply both to high-temperature field theories in four dimensions and to zero-temperature three-dimensional ones. Our approach is based on the notion of a…

We review recent advances in the analytical and numerical modeling of the star formation rate in molecular clouds and discuss the available observational constraints. We focus on molecular clouds as the fundamental star formation sites,…

The Classical Nucleation Theory (CNT) has played a key role in crystal nucleation studies since the 19th century and has significantly advanced the understanding of nucleation. However, certain key assumptions of CNT, such as a compact and…

Background: Saturation of nuclear density is a fundamental property of atomic nuclei but in reality, the nuclear internal density distribution is not uniform, e.g., some nuclei are known to have the so-called bubble structure, in which the…

We investigate the formation of molecular clouds from atomic gas by using three-dimensional magnetohydrodynamic simulations, including non-equilibrium chemical reactions and heating/cooling processes. We consider super-Alfv\'enic head-on…

Molecular dynamics simulations are performed to study the [100] and [111] orientations of the crystal-melt interface between an ordered two-component hard sphere with a NaCl structure and its coexisting binary hard-sphere fluid. The…

We present the results of a series of numerical simulations of compressible, self-gravitating hydrodynamic turbulence of cluster-forming clumps in molecular clouds. We examine the role that turbulence has in the formation of gravitationally…

First order phase transitions in general proceed via nucleation of bubbles. A theoretical basis for the calculation of the nucleation rate is given by the homogeneous nucleation theory of Langer and its field theoretical version of Callan…

Direct numerical simulation is used to investigate effects of turbulent flow in the confined geometry of a face-centered cubic porous unit cell on the transport, clustering, and deposition of fine particles at different Stokes numbers ($St…

We use computer simulations to study the phase behaviour for hard, right rhombic prisms as a function of the angle of their rhombic face (the "slant" angle). More specifically, using a combination of event-driven molecular dynamics…

The thermodynamics and kinetics of crystallization of nanoparticles, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and…

We present mode-coupling theory (MCT) results for densely packed hard-sphere fluids confined between two parallel walls and compare them quantitatively to computer simulations. The numerical solution of MCT is calculated for the first time…

The most interesting step of condensation is the cluster formation up to the critical size. In a closed system, this is an instationary process, as the vapour is depleted by the emerging liquid phase. This imposes a limitation on direct…

Monte Carlo simulations of crystal nuclei coexisting with the fluid phase in thermal equilibrium in finite volumes are presented and analyzed, for fluid densities from dense melts to the vapor. Generalizing the lever-rule for two-phase…

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous…

We report a Molecular Dynamics study of homogenous bubble nucleation in a Lennard-Jones fluid. The rate of bubble nucleation is estimated using forward-flux sampling (FFS). We find that cavitation starts with compact bubbles rather than…