Two-step nucleation of the Earth’s inner core

The Earth's inner core started forming when molten iron cooled below the melting point. However, the nucleation mechanism, which is a necessary step of crystallization, has not been well understood. Recent studies have found that it requires an unrealistic degree of undercooling to nucleate the stable, hexagonal, close-packed (hcp) phase of iron that is unlikely to be reached under core conditions and age. This contradiction is referred to as the inner core nucleation paradox. Using a persistent embryo method and molecular dynamics simulations, we demonstrate that the metastable, body-centered, cubic (bcc) phase of iron has a much higher nucleation rate than does the hcp phase under inner core conditions. Thus, the bcc nucleation is likely to be the first step of inner core formation, instead of direct nucleation of the hcp phase. This mechanism reduces the required undercooling of iron nucleation, which provides a key factor in solving the inner core nucleation paradox. The two-step nucleation scenario of the inner core also opens an avenue for understanding the structure and anisotropy of the present inner core.

Режимы роста пленок нитрида алюминия на гибридных подложках SiC/Si(111)

The nucleation mechanism of aluminum nitride films grown by the method of hydride vapor phase epitaxy on hybrid substrates 3C-SiC/Si(111) is theoretically analyzed. The temperature regions and vapor pressure regions of components are determined in which the island growth mechanism and the layer-by-layer growth mechanism are realized. The theoretical conclusions are compared with the experimental data. The morphology of aluminum nitride film on 3C-SiC/Si(111) at the initial growth stage is investigated by the method of scanning electron microscopy. The methods of controlling the change of the growth mechanism from the island growth to the layer-by-layer growth are proposed.

Selective desolvation in two-step nucleation mechanism steers crystal structure formation

Illustrated is a two-step nucleation process, where solute molecules in the solution are first partially desolvated to form locally dense liquid clusters followed by selective desolvation to yield crystalline solids.

Effect of Thiourea Containing Composite Additives on Nickel Electrodeposition in Ammoniacal Solution

Composite additives have an important influence on the process of metal electrodeposition and the quality of a metal deposited layer. In this work, the additive thiourea (TU) was compounded with cetyltrimethyl ammonium chloride (CTAC), sodium dodecyl sulfate (SDS) and polyethylene glycol 20,000 (PEG20000), and their effect on the cyclic voltammetric behavior, electrochemical nucleation mechanism, crystallographic orientations and surface morphology of the nickel electrodeposition in ammoniacal solution were experimentally investigated. The results show that the introduction of composite additives resulted in a stronger cathodic polarization and increased the nucleation overpotential (NOP) values significantly, which had an important impact on forming compact and smooth nickel deposits. The chronoamperometry analysis indicated that the reduction in nickel followed the 3D progressive nucleation mechanism in the presence of composite additives at the step potential of −1.16 V and −1.18 V. Smoother and finer nickel films were found using scanning electron microscopy (SEM) images as the composite additives were used. X-ray diffraction revealed that all nickel deposit samples had the face-centered cubic structure, and five main crystal planes were displayed by the presence of composite additives in the electrolyte. Furthermore, the diffraction peaks of (111) and (200) crystal planes were slightly shifted toward lower 2θ values when thiourea was used in combination with additive CTAC or PEG20000. These results were beneficial for understanding the mechanisms and facilitating the rational design of additives for metal nickel electrodeposition.

Enhanced Mechanical Properties and Isotropy of Mg-2Al-0.8Sn Alloy through Ca Addition

Calcium (Ca), with abundant and cheap reserves, is a potential element to facilitate the further application of Mg-Al-Sn based alloys. Here, effects of Ca content on the microstructure and tensile properties of Mg-2.0Al-0.8Sn (wt.%) alloys were systematically studied. The experimental results illustrated that the strength, ductility and isotropy of the alloys improved simultaneously with the increase of Ca content. The better ductility and isotropy could be contributed to the weakened texture via particle stimulation nucleation mechanism. The higher strength benefited from the combination of finer grains, more precipitates and residual dislocation density. Eventually, the Mg-2.0Al-0.8Sn-0.5Ca (wt.%) alloy showed the best room-temperature balance of strength and ductility with a yield strength of ∼226.0 MPa, an ultimate tensile strength of ∼282.4 MPa and a fracture elongation of ∼20.2%, which has huge potential as an applicable low-cost high-performance magnesium alloy.

Atomistic Evidence of Nucleation Mechanism for the Direct Graphite-to-Diamond Transformation

The direct graphite-to-diamond transformation mechanism has been a subject of intense study and remains debated concerning the initial stages of the conversion, the intermediate phases, and their transformation pathways. Here, we successfully recover samples at early conversion stage by tuning high-pressure/high-temperature conditions and reveal direct evidence supporting the nucleation-growth mechanism. Atomistic observations show that intermediate orthorhombic graphite phase mediates the growth of diamond nuclei. Furthermore, we observe that quenchable orthorhombic and rhombohedra graphite are stabilized in buckled graphite at lower temperatures. These intermediate phases are further converted into hexagonal and cubic diamond at higher temperatures following energetically favorable pathways in the order: graphite -> orthorhombic graphite -> hexagonal diamond, graphite -> orthorhombic graphite -> cubic diamond, graphite -> rhombohedra graphite -> cubic diamond. These results significantly improve our understanding of the transformation mechanism, enabling the synthesis of different high-quality forms of diamond from graphite.

A Hybrid Model to Predict Formulation Dependent Granule Growth in a Bi-Component Wet Granulation Process

In this study, a hybrid modeling framework was developed for predicting size distribution and content uniformity of granules in a bi-component wet granulation system with components of differing hydrophobicities. Two bi-component formulations, (1) ibuprofen-USP and micro-crystalline cellulose and (2) micronized acetaminophen and micro-crystalline cellulose, were used in this study. First, a random forest method was used for predicting the probability of nucleation mechanism (immersion and solid spread), depending upon the formulation hydrophobicity. The predicted nucleation mechanism probability is used to determine the aggregation rate as well as the initial particle distribution in the population balance model. The aggregation process was modeled as Type-I: Sticking aggregation and Type-II: Deformation driven aggregation. In Type-I, the capillary force dominant aggregation mechanism is represented by the particles sticking together without deformation. In the case of Type-II, the particle deformation causes an increase in the contact area, representing a viscous force dominant aggregation mechanism. The choice between Type-I and II aggregation is determined based on the difference in nucleation mechanism that is predicted using the random forest method. The model was optimized and validated using the granule content uniformity data and size distribution data obtained from the experimental studies. The proposed framework predicted content non-uniform behavior for formulations that favored immersion nucleation and uniform behavior for formulations that favored solid-spreading nucleation.