Related Experiment Video
Updated: Jul 29, 2025
09:41
Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
Published on: May 29, 2018
9.6K
A map of single-phase high-entropy alloys
Wei Chen1, Antoine Hilhorst2, Georgios Bokas1
1Institute of Condensed Matter and Nanoscicence (IMCN), UCLouvain, Chemin Etoiles 8, Louvain-la-Neuve, 1348, Belgium.
Nature Communications
|May 19, 2023
Summary
Researchers mapped over 658,000 high-entropy alloys using computational methods. They identified 30,201 potential single-phase alloys, including two novel ones, advancing materials science discovery.
Area of Science:
- Materials Science
- Computational Materials Science
- Alloy Design
Background:
- High-entropy alloys (HEAs) exhibit unique properties, but identifying stable single-phase solid solutions is challenging due to vast combinatorial possibilities.
- The rarity of stable equimolar single-phase solid solutions in HEAs necessitates efficient discovery methods.
- Exploring the extensive chemical space for HEAs requires advanced computational approaches.
Purpose of the Study:
- To construct a comprehensive chemical map of single-phase equimolar high-entropy alloys.
- To identify the key chemical factors governing the formation of stable HEAs.
- To predict and validate novel HEA compositions.
Main Methods:
- Utilized high-throughput density-functional theory calculations.
- Investigated over 658,000 equimolar quinary alloys.
- Employed a binary regular solid-solution model for alloy stability prediction.
Main Results:
- Identified 30,201 potential single-phase equimolar alloys (5% of combinations).
- Found that stable alloys predominantly form body-centered cubic structures.
- Unveiled the interplay of mixing enthalpy, intermetallic formation, and melting point in driving solid solution formation.
Conclusions:
- The study successfully maps the landscape of single-phase equimolar HEAs.
- Predictive computational methods can accelerate the discovery of novel HEAs.
- Successfully synthesized two predicted HEAs, validating the computational approach.
Related Concept Videos
02:37Metallic Solids
18.5K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
18.5K
02:39Phase Diagrams
42.0K
A phase diagram combines plots of pressure versus temperature for the liquid-gas, solid-liquid, and solid-gas phase-transition equilibria of a substance. These diagrams indicate the physical states that exist under specific conditions of pressure and temperature and also provide the pressure dependence of the phase-transition temperatures (melting points, sublimation points, boiling points). Regions or areas labeled solid, liquid, and gas represent single phases, while lines or curves represent...
42.0K
01:19Phase Diagram
6.0K
The phase of a given substance depends on the pressure and temperature. Thus, plots of pressure versus temperature showing the phase in each region provide considerable insights into the thermal properties of substances. Such plots are known as phase diagrams. For instance, in the phase diagram for water (Figure 1), the solid curve boundaries between the phases indicate phase transitions (i.e., temperatures and pressures at which the phases coexist).
6.0K
01:31Ferromagnetism
2.4K
Materials like iron, nickel, and cobalt consist of magnetic domains, within which the magnetic dipoles are arranged parallel to each other. The magnetic dipoles are rigidly aligned in the same direction within a domain by quantum mechanical coupling among the atoms. This coupling is so strong that even thermal agitation at room temperature cannot break it. The result is that each domain has a net dipole moment. However, some materials have weaker coupling, and are ferromagnetic at lower...
2.4K
02:31Phase Transitions
19.3K
Whether solid, liquid, or gas, a substance's state depends on the order and arrangement of its particles (atoms, molecules, or ions). Particles in the solid pack closely together, generally in a pattern. The particles vibrate about their fixed positions but do not move or squeeze past their neighbors. In liquids, although the particles are closely spaced, they are randomly arranged. The position of the particles are not fixed—that is, they are free to move past their neighbors to...
19.3K
01:24Stress-Strain Diagram - Ductile Materials
877
The stress-strain relationship in ductile materials such as structural steel or aluminium is intricate and progresses through several stages. When a specimen is loaded, it initially exhibits a linear length increase, depicted by a steep straight line on the stress-strain diagram. It indicates the material is elastically deforming and will return to its original shape once unloaded. However, when a critical stress value is reached, plastic deformation begins. This stage sees substantial...
877