Alloying has long been used to confer desirable properties to materials. Typically, it involves
the addition of relatively small amounts of secondary elements to a primary element. For the …

Disordered multicomponent systems, occupying the mostly uncharted centres of phase
diagrams, were proposed in 2004 as innovative materials with promising applications. The …

Although the formalism that allows the calculation of alloy thermodynamic properties from
first-principles has been known for decades, its practical implementation has so far …

Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a
truly transformative technology, providing portable energy storage for devices ranging from …

A number of new functionalities have been added to the Alloy Theoretic Automated Toolkit
(ATAT) since it was last reviewed in this journal in 2002. ATAT can now handle …

We investigate the structural and physical properties of the AgSn m SbSe m+ 2 system with
m= 1–20 (ie, SnSe matrix and∼ 5–50% AgSbSe2) from atomic, nano, and macro length …

Multi-principal element solid solutions are prone to develop local chemical inhomogeneities,
ie, chemical order/clustering and/or compositional undulation. However, these structural …

Alloy cluster expansions (CEs) provide an accurate and computationally efficient map** of
the potential energy surface of multi‐component systems that enables comprehensive …

While the ongoing search to discover new high-entropy systems is slowly expanding beyond
metals, a rational and effective method for predicting “in silico” the solid solution forming …

Thermodynamics is the key component of materials science and engineering. The
manifestation of thermodynamics is typically represented by phase diagrams, traditionally for …