相关论文: Numerical model of solid phase transformations gov…

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…

We propose and demonstrate a simple method to accurately monitor and program arbitrary states of partial crystallization in phase-change materials (PCMs). The method relies both on the optical absorption in PCMs as well as on the physics of…

Grain growth is a well-known and complex phenomenon occurring during annealing of all polycrystalline materials. Its numerical modeling is a complex task when anisotropy sources such as grain orientation and grain boundary inclination have…

We revisit the evolution model of grain size distribution in a galaxy for the ultimate purpose of implementing it in hydrodynamical simulations. We simplify the previous model in such a way that some model-dependent assumptions are replaced…

Particle coarsening and grain growth take place to minimize the total interfacial energy. The classical mean-field treatments by Lifshitz, Slyozov, [1] Wagner [2] and Hillert [3] predicted cubic growth law under bulk-diffusion controlled…

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

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…

State-of-the-art models for aerosol particle nucleation and growth from a cooling vapor primarily use a nodal method to numerically solve particle growth kinetics. In this method, particles that are smaller than the critical size are…

Phase transformations are widely studied using continuous-heating experiments. In isothermal studies, their kinetics are often described using the Johnson-Mehl-Avrami-Kolmogorov (JMAK) rate equation. For continuous-heating studies, the same…

Often a number of precipitation processes in steels and alloys occur simultaneously (they have the same origin in time) albeit at different rates. Consequently, isothermic transformations are accompanied, in this case, by the occurrence of…

Grain growth experiments on thin metallic films have shown the geometric and topological characteristics of the grain structure to be universal and independent of many experimental conditions. The universal size distribution, however, is…

In this work, we study the crystalline nuclei growth in glassy systems focusing primarily on the early stages of the process, at which the size of a growing nucleus is still comparable with the critical size. On the basis of molecular…

Both simple and sophisticated models are frequently used in an attempt to understand how real nuclei breakup when subjected to large excitation energies, a process known as nuclear multifragmentation. Many of these models assume…

The thermal and phase properties of a multifragmentation model which uses clusters as degrees of freedom, are explored as a function of isospin. A good qualitative agreement is found with the phase diagram of asymmetric nuclear matter as…

We describe a numerical model of faceted crystal growth using a cellular automata method that incorporates admolecule diffusion on faceted surfaces in addition to bulk diffusion in the medium surrounding the crystal. The model was developed…

We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nanocrystalline {\alpha}-Fe single-phase alloy in the presence…

Context. Grains in circumstellar disks are believed to grow by mutual collisions and subsequent sticking due to surface forces. Results of many fields of research involving circumstellar disks, such as radiative transfer calculations, disk…

The emergence upon cooling of an ordered solid phase from a liquid is a remarkable example of self-assembly, which has also major practical relevance. Here, we use a recently developed committor-based enhanced sampling method [Kang et al.,…

The freezing/melting transition is at the heart of many natural and industrial processes. In the classical picture, the transition proceeds via the nucleation of the new phase, which has to overcome a barrier associated to the free energy…