Related papers: Nucleation and crystallization process of silicon …
Germanium is an extremely important material used for numerous functional applications in many fields of nanotechnology. In this paper, we study the crystallization of amorphous Ge using atomistic simulations of critical nano-metric nuclei…
In this work, we present an efficient framework that combines machine learning potential (MLP) and metadynamics to explore multi-dimensional free energy surfaces for investigating solid-solid phase transition. Based on the spectral…
The kinetics of main physical processes controlling the growth of nanowires (NW) via evolution pass " vapor-liquid-solid" is considered. The roles of the thermodynamics and kinetics of cluster nucleation in the initial stage of NW formation…
In standard nucleation theory, the nucleation process is characterized by computing $\Delta\Omega(V)$, the reversible work required to form a cluster of volume $V$ of the stable phase inside the metastable mother phase. However, other…
We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained…
The cluster transfer in multinucleon transfer reactions near Coulomb barrier energies is implemented into the master equations in dinuclear system model, in which the deuteron, triton, $^{3}$He and $\alpha$ are taken into account. The…
Crystallization, a prototypical self-organization process during which a disordered state spontaneously transforms into a crystal characterized by a regular arrangement of its building blocks, usually proceeds by nucleation and growth. In…
Recently, it was shown that a theoretical description of nucleation based on fluctuating hydrodynamics and classical density functional theory can be used to determine non-classical nucleation pathways for crystallization (Lutsko, Sci. Adv.…
Nucleation at large metastability is still largely an unsolved problem, although is a problem of tremendous current interest, with wide practical value. It is well-accepted that the classical nucleation theory (CNT) fails to provide a…
The role of saturation for cluster formation in finite systems such as atomic nuclei is analyzed by considering three length-scale ratios, and performing deformation-constrained self-consistent mean-field calculations. The effect of…
SnTe, an archetypical topological crystalline insulator, often shows a transition from a highly symmetric cubic phase to a rhombohedral structure at low temperatures. In order to achieve the highly symmetric cubic phase at low temperatures…
As the ultimate stage of stellar nucleosynthesis, and the source of the iron peak nuclei, silicon burning is important to our understanding of the evolution of massive stars and supernovae. Our reexamination of silicon burning, using…
Crystallization represents a fundamental process engendering solidification of a material and determines its microstructure. Driven by complex phenomena at the atomic scale, its understanding for alloys still remains elusive. The present…
We study crystallization in a model system for eicosane (C20) by means of molecular dynamics simulation and we identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the nucleation process, we observe that…
We have performed in situ time-resolved X-ray diffraction at ~100 GPa on laser-shocked CaSiO3 glass to investigate the glass-to-crystal transition. At this extreme pressure, we observe the ultrafast crystallization of the CaSiO3 perovskite…
Nonuniform neutron-rich matter present in both core-collapse supernovae and neutron-star crusts is described in terms of a semiclassical model that reproduces nuclear-matter properties and includes long-range Coulomb interactions. The…
We report on the possibility of describing the absorption and emission characteristics of an ensemble of silicon nanocrystals (NCs) with realistic distributions in the NC size, by the sum of the reponses of the single NCs. The individual NC…
Using state-of-the-art rare-event sampling simulations, we precisely characterize the nucleation of liquid droplets from a supersaturated Lennard-Jones gas and uncover a key physical feature: critical clusters nucleate with a density that…
We develop a model in the framework of nuclear fragmentation at thermodynamic equilibrium which can be mapped onto an Ising model with constant magnetization. We work out the thermodynamic properties of the model as well as the properties…
In 1897 Ostwald formulated his step rule for formation of the most stable crystal state for a system with crystal polymorphism. The rule describes the irreversible way a system converts to the crystal with lowest free energy. But in fact…