Related papers: Growth mechanism of nanocrystals in solution: ZnO,…
The steady-state homogeneous vapor-to-liquid nucleation and the succeeding liquid droplet growth process are studied for water system by means of the coarse-grained molecular dynamics simulations with the mW-model suggested originally in…
Kinetic Monte Carlo approach is developed to study aspects of sintering of dispersed nanoparticles of bimodal size distributions. We explore mechanisms of neck development when sintering is initiated at elevated temperatures for nanosize…
We developed a consistent mathematical model for isotropic crystal growth on a substrate covered by the mask material with a periodic series of parallel long trenches where the substrate is exposed to the vapor phase. Surface diffusion and…
Depositional ice growth is an important process for cirrus cloud evolution, but the physics of ice growth in atmospheric conditions is still poorly understood. One major challenge in constraining depositional ice growth models against…
In this report we present a systematic study on the preparation of Co:ZnO ceramics via standard solid-state route from different Co precursors (Co3O4, CoO and metallic Co) and atmospheres (O2 and Ar). Particular emphasis was done on the…
We report on the modeling of the formation of a cavity at the surface of crystals confined by a flat wall during growth in solution. Using a continuum thin film model, we discuss two phenomena that could be observed when decreasing the…
We generalize a model of growth over a disordered environment, to a large class of It\=o processes. In particular, we study how the microscopic properties of the noise influence the macroscopic growth rate. The present model can account for…
Solid solution effects on the strength of the finest nanocrystalline grain sizes are studied with molecular dynamics simulations of different Cu-based alloys. We find evidence of both solid solution strengthening and softening, with trends…
The interface between hexagonal ZnO films and cubic MgO (001) substrates, fabricated through molecular beam epitaxy, are thoroughly investigated. X-ray diffraction and (scanning) transmission electron microscopy reveal that, at the…
Kinetics of the first order phase transition has been investigated. The case when the droplets sizes have a limit value is considered. An analytical theory for such process has been constructed and all main characteristics of the process…
We present models of electrodeposition of ZnO films with organic additives, with focus on the growth of hybrid films with eosin Y. First we propose a rate equation model which assumes that the additives form branches with an exposed part…
DC flash sintering of both pure and 0.5 mol. % Bi2O3-doped ZnO at a relatively high activating field of 300 V/cm has been investigated. It is demonstrated that even high-purity ZnO single crystals can "flash" at 870C. In comparison, flash…
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 time-dependent kinetics of formation and evolution of nano-size atomic clusters is investigated and illustrated with the nucleation dynamics of ion-seed Ar$_n$H$^+$ particles. The rates of growth and degradation of Ar-atomic shells…
Growth and decay are system-level properties of chemical reaction networks (CRNs) relevant from prebiotic chemistry to cellular metabolism. Their properties are typically analyzed through the kinetics of particular models, which requires…
ZnO films have been grown on gold (111) by electrodeposition using two different OH- sources, nitrate and peroxide, in order to obtain a comparative study between these films. The morphology, structural and optical characterization of the…
What are the mechanisms leading to the shape relaxation of three dimensional crystallites ? Kinetic Monte Carlo simulations of fcc clusters show that the usual theories of equilibration, via atomic surface diffusion driven by curvature, are…
Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend themselves conveniently to studying dissolution since they…
The kinetic mechanisms underlying bottom-up assembly of colloidal particles have been widely investigated in efforts to control crystallization pathways and to direct growth into targeted superstructures for applications including photonic…
Via hydrodynamics preserving molecular dynamics simulations we study growth phenomena in a phase separating symmetric binary mixture model. We quench high-temperature homogeneous configurations to state points inside the miscibility gap,…