Stacking Characteristics of Close Packed Materials

New Tetrahedrally Close-Packed Structures

We consider mathematical models of foams and froths, as collections of surfaces which minimize area under volume constraints. Combinatorially, because of Plateau’s rules, a foam is dual to some triangulation of space. We examine the class of foams known as tetrahedrally close-packed (TCP) structures, which includes the one used by Weaire and Phelan in their counterexample to the Kelvin conjectu...

The sintering behavior of close-packed spheres

Magnetism of close packed Fe 147 clusters

We present ab initio density functional theory calculations of the magnetic structure of perfectly cuboctahedral nanoparticles consisting of 147 iron atoms. The results are compared to geometrically relaxed cuboctahedral and icosahedral Fe147-clusters. It is found, that structural relaxation leads to a compression, which reduces especially the moments of the central atoms of the cluster, while ...

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-pri...

Corrigendum: 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 t...