A systematic review of the crystal chemical properties of the σ phase is presented, with
special emphasis on the atomic order, ie the distribution of the atoms on the different sites of …

Phase diagrams are used in materials research and engineering to understand the
interrelationship between composition, microstructure and process conditions. In complex …

In tungsten plasma-facing fusion reactor components, Ta is the third most abundant element
formed by transmutation (after Re and Os), yet little is known about the behaviour of W-Ta …

We show that a full spectrum of Frank–Kasper (FK) phase and dodecagonal quasicrystal
(DDQC) having been discovered among different block copolymers (BCPs) can be …

The cluster expansion method provides a standard framework to map first-principles
generated energies for a few selected configurations of a binary alloy onto a finite set of pair …

One of the many singularities of Frank-Kasper phases is their ability to accommodate
extremely large composition ranges by atom mixing on the different sites of the crystal …

To increase the strength of representative equiatomic CoCrFeMnNi HEAs (high entropy
alloys), many researchers have attempted to generate a secondary phase or to maximize …

Abstract Machine learning (ML) methods are becoming the state-of-the-art in numerous
domains, including material sciences. In this manuscript, we demonstrate how ML can be …

Rhenium is an important alloying agent in catalytic materials and superalloys, but the
experimental and computational data on its binary alloys are sparse. Only 6 out of 28 Re …

A combination of electronic-structure methodologies from density functional theory (DFT)
through a tight-binding (TB) model to analytic bond-order potentials (BOPs) has been used …