Related papers: The interface heterogeneous nucleation and dynamic…
In simulations of the 2D Ising model, we examine heterogeneous nucleation induced by a small impurity consisting of a line of $l$ fixed spins. As $l$ increases, we identify a limit of stability beyond which the metastable phase is not…
We revisit the effect of polydispersity on the crystal nucleation of hard spheres. Using event-driven molecular dynamics simulations, we obtain the nucleation rate as a function of the supersaturation for a range of polydispersities, and…
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,…
In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…
Recent advances in classical density functional theory are combined with stochastic process theory and rare event techniques to formulate a theoretical description of nucleation, including crystallization, that can predict nonclassical…
Based on an extended nuclear statistical equilibrium model, we investigate the properties of non-accreted crusts of young and warm neo-neutron stars, i.e., of finite-temperature inhomogeneous dense matter in beta equilibrium. An interesting…
The thermodynamic properties of nuclei are studied in a mean field model using a Skryme interaction. Properties of two component systems are investigated over the complete range of proton fraction from a system of pure neutrons to a system…
A one-dimensional model on a line of the length L is investigated, which involves particle diffusion as well as single particle annihilation. There are also creation and annihilation at the boundaries. The static and dynamical behaviors of…
The phase field theory of crystal nucleation described in [L. Granasy, T. Borzsonyi, T. Pusztai, Phys. Rev. Lett. 88, 206105 (2002)] is applied for nucleation in hard--sphere liquids. The exact thermodynamics from molecular dynamics is…
Surface tension of small grains and droplets makes them stable only at a much lower temperature than in bulk. This makes spontaneous nucleation unfavorable in many cases. Kinetic approaches are delicate in that one can easily generate…
Phase transitions are the macroscopic manifestation of microscopic processes that drive a system towards a new state. The detailed evolution of these processes, particularly in abrupt phase transitions, are currently not fully understood.…
In nuclear fusion reactors, tungsten will be exposed to high neutron loads at high temper atures (>900 C). The evolution and degradation of the mechanical properties under these conditions is uncertain and therefore constitutes a major…
Nucleation phenomena are ubiquitous in nature and the presence of impurities in every real and experimental system is unavoidable. Yet numerical studies of nucleation are nearly always conducted for entirely pure systems. We have studied…
Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice…
From a simple bulk model for the one-dimensional steady-state solidification of a dilute binary alloy we derive an interface description, allowing arbitrary values of the growth velocity. Our derivation leads to exact expressions for the…
We consider a possible mechanism of thermalization of nucleons in relativistic heavy-ion collisions. Our model belongs, to a certain degree, to the transport ones; we investigate the evolution of the system created in nucleus-nucleus…
We investigate the nucleation of Ising model on complex networks and focus on the role played by the heterogeneity of degree distribution on nucleation rate. Using Monte Carlo simulation combined with forward flux sampling, we find that for…
Interfaces in tissues are ubiquitous, both between tissue and environment as well as between populations of different cell types. The propagation of an interface can be driven mechanically. % e.g. by a difference in the respective…
The study of grain boundary phase transitions is an emerging field until recently dominated by experiments. The major bottleneck in exploration of this phenomenon with atomistic modeling has been the lack of a robust computational tool that…
We construct a diffuse-interface model of two-phase solidification that quantitatively reproduces the classic free boundary problem on solid-liquid interfaces in the thin-interface limit. Convergence tests and comparisons with boundary…