Competing nucleation of single- and double-layer Guinier-Preston zones in Al-Cu alloys.

Solid-state precipitation is a key heat-treatment strategy for strengthening engineering alloys. Therefore, predicting the precipitation process of localized solute-rich clusters, such as Guinier-Preston (GP) zones, is necessary. We quantitatively evaluated the critical nucleus size and nucleation barrier of GP zones in Al-Cu alloys, illustrating the precipitation preferences of single-layer (GP1) and double-layer (GP2) GP zones. Based on classical nucleation theory using an effective multi-body potential for dilute Al-Cu systems, our model predicted GP1 and GP2 precipitation sequences at various temperatures and Cu concentrations in a manner consistent with experimental observations. The crossover between formation enthalpy curves of GP1 and GP2 with increasing cluster size determines the critical conditions under which GP2 zones can nucleate without prior formation of GP1 zones. This relationship reflects competing interactions within and between clusters. The results illustrate the underlying mechanisms of competing nucleation between zones, and provide guidance for tailoring aging conditions to achieve desired mechanical properties for specific applications.

Two distinct crystallization processes in supercooled liquid.

Using molecular dynamics simulations we show that two distinct crystallization processes, depending on the temperature at which crystallization occurs, appear in a supercooled liquid. As a model for glass-forming materials, an Al2O3 model system, in which both the glass transition and crystallization from the supercooled liquid can be well reproduced, is employed. Simulations in the framework of an isothermal-isobaric ensemble indicate that the calculated time-temperature-transformation curve for the crystallization to γ(defect spinel)-Al2O3 exhibited a typical nose shape, as experimentally observed in various glass materials. During annealing above the nose temperature, the structure of the supercooled liquid does not change before the crystallization, because of the high atomic mobility (material transport). Thus, the crystallization is governed by the abrupt crystal nucleation, which results in the formation of a stable crystal structure. In contrast, during annealing below the nose temperature, the structure of the supercooled liquid gradually changes before the crystallization, and the formed crystal structure is less stable than that formed above the nose temperature, because of the restricted material transport.

Nanoclusters first: a hierarchical phase transformation in a novel Mg alloy.

The Mg-Y-Zn ternary alloy system contains a series of novel structures known as long-period stacking ordered (LPSO) structures. The formation process and its key concept from a viewpoint of phase transition are not yet clear. The current study reveals that the phase transformation process is not a traditional spinodal decomposition or structural transformation but, rather a novel hierarchical phase transformation. In this transformation, clustering occurs first, and the spatial rearrangement of the clusters induce a secondary phase transformation that eventually lead to two-dimensional ordering of the clusters. The formation process was examined using in situ synchrotron radiation small-angle X-ray scattering (SAXS). Rapid quenching from liquid alloy into thin ribbons yielded strongly supersaturated amorphous samples. The samples were heated at a constant rate of 10 K/min. and the scattering patterns were acquired. The SAXS analysis indicated that small clusters grew to sizes of 0.2 nm after they crystallized. The clusters distributed randomly in space grew and eventually transformed into a microstructure with two well-defined cluster-cluster distances, one for the segregation periodicity of LPSO and the other for the in-plane ordering in segregated layer. This transformation into the LPSO structure concomitantly introduces the periodical stacking fault required for the 18R structures.

Two-dimensional ordering of solute nanoclusters at a close-packed stacking fault: modeling and experimental analysis.

Predicting the equilibrium ordered structures at internal interfaces, especially in the case of nanometer-scale chemical heterogeneities, is an ongoing challenge in materials science. In this study, we established an ab-initio coarse-grained modeling technique for describing the phase-like behavior of a close-packed stacking-fault-type interface containing solute nanoclusters, which undergo a two-dimensional disorder-order transition, depending on the temperature and composition. Notably, this approach can predict the two-dimensional medium-range ordering in the nanocluster arrays realized in Mg-based alloys, in a manner consistent with scanning tunneling microscopy-based measurements. We predicted that the repulsively interacting solute-cluster system undergoes a continuous evolution into a highly ordered densely packed morphology while maintaining a high degree of six-fold orientational order, which is attributable mainly to an entropic effect. The uncovered interaction-dependent ordering properties may be useful for the design of nanostructured materials utilizing the self-organization of two-dimensional nanocluster arrays in the close-packed interfaces.