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We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structures using finite-temperature density functional theory.…

Materials Science · Physics 2026-04-15 S. Azadi , S. M. Vinko , A. Principi , T. D. Kuehne , M. S. Bahramy

In high-entropy alloys (HEAs), the local chemical fluctuations from disordered solute solution state into segregation, precipitation and ordering configurations are complex due to the large number of elements. In this work, the cluster…

Materials Science · Physics 2017-05-05 A. Fernandez-Caballero , J. S. Wrobel , P. M. Mummery , D. Nguyen-Manh

Energy efficiency is motivating the search for new high-temperature metals. Some new body-centered-cubic random multicomponent "high entropy alloys (HEAs)" based on refractory elements (Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr) possess exceptional…

X-ray powder diffraction, electrical resistivity, magnetization, and thermodynamic measurements were conducted to investigate the structure and superconducting properties of TiHfNbTaMo, a novel high-entropy alloy possessing a valence…

Whereas exceptional mechanical and radiation performances have been found in the emergent medium- and high-entropy alloys (MEAs and HEAs), the importance of their complex atomic environment, reflecting diversity in atomic size and…

Materials Science · Physics 2019-02-26 Yang Tong , Shijun Zhao , Hongbin Bei , Takeshi Egami , Yanwen Zhang , Fuxiang Zhang

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered BCC Ta-Nb-Hf-Zr-Ti high entropy alloy superconductor appears to display properties of…

Superconductivity · Physics 2016-12-21 Fabian von Rohr , Michal J. Winiarski , Jing Tao , Tomasz Klimczuk , Robert J. Cava

High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…

Materials Science · Physics 2025-10-03 Franco Moitzi , Lorenz Romaner , Andrei V. Ruban , Oleg E. Peil

An equation has been derived to predict unit cell volume of high entropy alloys, HEA, by two different methods. Both treatments led to the same equation. For cubic HEA lattice parameters were calculated. The predicted lattice parameters…

Materials Science · Physics 2021-04-30 Juan Coreno Alonso , Oscar Coreno Alonso

With the aim of the discovery of face-centered-cubic (fcc) high-entropy alloy (HEA) superconductor, we have carried out materials research on Nb or Pb-containing multi-component alloys. Although the X-ray diffraction (XRD) patterns of some…

Materials Science · Physics 2020-07-03 Naoki Ishizu , Jiro Kitagawa

High entropy alloys (HEAs) are the new class of materials with an attractive combination of tunable mechanical and physicochemical properties. They crystallize mainly in cubic structures, however, for practical applications, HEAs with…

Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…

Materials Science · Physics 2022-06-27 Yuanhui Sun , Lei Zhao , Chris J. Pickard , Russell J. Hemley , Yonghao Zheng , Maosheng Miao

High Entropy Alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to…

Disordered Systems and Neural Networks · Physics 2023-03-17 Silvia Bonfanti , Roberto Guerra , Rene Alvarez-Donado , Pawel Sobkowicz , Stefano Zapperi , Mikko Alava

The atomic-level tunability that results from alloying multiple transition metals with d electrons in concentrated solid solution alloys (CSAs), including high-entropy alloys (HEAs), has produced remarkable properties for advanced energy…

Materials Science · Physics 2017-07-26 Y. Tong , G. Velisa , T. Yang , K. Jin , C. Lu , H. Bei , J. Y. P. Ko , D. C. Pagan , R. Huang , Y. Zhang , L. Wang , F. X. Zhang

We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…

Materials Science · Physics 2026-02-10 Aslak Fellman , Jesper Byggmästar , Fredric Granberg , Flyura Djurabekova , Kai Nordlund

High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due to their complex local chemical environment and slow defect migration. Despite commonly overlooked, electronic effects on defects evolution in…

Materials Science · Physics 2022-11-30 Okan K. Orhan , Mohamed Hendy , Mauricio Ponga

High-entropy alloys (HEAs), and even medium-entropy alloys (MEAs), are an intriguing class of materials in that structure and property relations can be controlled via alloying and chemical disorder over wide ranges in the composition space.…

In materials science, a wide range of properties of materials are governed by various types of energies, including thermal, physicochemical, structural, and mechanical energies. In 2005, Dr. Frans Spaepen used crystalline…

Materials Science · Physics 2024-12-03 Ruitian Chen , Evelyn Li , Yu Zou

High-entropy alloys (HEAs) are metallic materials with solid solutions stabilized by high mixing entropy. Some exhibit excellent strength, often accompanied by additional properties such as magnetic, invar, corrosion, or cryogenic response.…

Materials Science · Physics 2024-09-26 Anurag Bajpai , Ziyuan Rao , Abhinav Dixit , Krishanu Biswas , Dierk Raabe

High-entropy intermetallic compounds (HEICs) were fabricated by mechanical alloying and spark plasma sintering to fill a knowledge gap between the traditional high-entropy alloys (HEAs) and emerging high-entropy ceramics (HECs). Notably,…

Materials Science · Physics 2019-02-28 Naixie Zhou , Sicong Jiang , Timothy Huang , Mingde Qin , Tao Hu , Jian Luo

In the present work, a simple approach is proposed for predicting the compositions of eutectic high entropy alloys (EHEAs) in Al-Co-Cr-Fe-Ni system. It is proposed that eutectic lines exist between certain eutectic alloys in this system…

Materials Science · Physics 2020-03-10 Ali Shafiei