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High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system were studied using ab initio calculations and experiments to clarify the role of entropy and individual elements in phase stability, microstructure, and…

Based on the traditional polycrystalline ferroelectric Ba0.85Ca0.15Zr0.10Ti0.90O3, the 0.4 Ba0.85Ca0.15Zr0.10Ti0.90O3 0.6 Ba0.9Sr0.1Ti0.9Sn0.1O3 medium entropy material with good energy storage and electrocaloric effect performances is…

Materials Science · Physics 2025-08-19 S. Khardazi , Z. Gargar , A. Lyubchyk , O. Zakir , D. Mezzane , M. Amjoud , A. Alimoussa , Z. Kutnjak

The present investigation into the superconducting properties of eutectic high-entropy alloy (HEA) Hf-Nb-Sc-Ti-Zr systems reveals an enhanced superconducting critical temperature ($T_\mathrm{c}$) in body-centered cubic (bcc) phases compared…

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

Materials Science · Physics 2026-01-08 Mohd Hasnain

High-entropy oxides (HEOs) are a new class of materials that are promising for a wide range of applications. Designing HEOs needs to consider both geometric compatibility and electrical equilibrium. However, there is currently no available…

Materials Science · Physics 2020-06-09 Lei Tang , Zemin Li , Kepi Chen , Cuiwei Li , Xiaowen Zhang , Linan An

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…

Materials Science · Physics 2025-01-27 Md Rajib Khan Musa , Yichen Qian , Jie Peng , David Cereceda

This study explores Ti-containing complex concentrated alloys (CCAs) within the AlMoNbTiZr system, focusing on compositions located in regions of the Bo-Md diagram characterized by low bond order (Bo) and d-orbital energy level (Md). Four…

Materials Science · Physics 2025-10-10 Mariano Casas-Luna , Dalibor Preisler , Jiří Kozlík , Josef Stráský

A series of dual-phase high-entropy ultrahigh temperature ceramics (DPHE-UHTCs) are fabricated starting from N binary borides and (5-N) binary carbides powders. >~99% relative densities have been achieved with virtually no native oxides.…

Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…

Materials Science · Physics 2024-04-09 Christopher D. Woodgate , Julie B. Staunton

A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…

Materials Science · Physics 2022-11-24 Andrew Novick , Quan Nguyen , Roman Garnett , Eric Toberer , Vladan Stevanović

High-entropy alloys (HEAs) are materials that consist of equimolar or near-equimolar multiple principal components but tend to form single phases, which is a new research topic in the field of metallurgy, have attracted extensive attention…

Materials Science · Physics 2021-02-19 Yuanyuan Shang , Jamieson Brechtl , Claudio Psitidda , Peter K. Liaw

Medium and high entropy ceramics, with their distinctive disordered structures, exhibit ultra-low thermal conductivity and high temperature stability. These properties make them strong contenders for next generation thermal barrier coating…

Materials Science · Physics 2024-05-27 Yuxuan Wang , Guoqiang Lan , Jun Song

Refractory metals exhibit high strength at high temperature, but often lack ductility. Multiprinciple element alloys such as high entropy alloys offer the potential to improve ductility while maintaining strength, but we don't know…

Materials Science · Physics 2023-12-07 Vishnu Raghuraman , Saro San , Michael C. Gao , Michael Widom

An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…

Recently, high-entropy alloys (HEAs) have attracted wide attention due to their extraordinary materials properties. A main challenge in identifying new HEAs is the lack of efficient approaches for exploring their huge compositional space.…

Materials Science · Physics 2019-05-07 Tatiana Kostiuchenko , Fritz Körmann , Jörg Neugebauer , Alexander Shapeev

Since the first report of a high entropy alloy (HEA) superconductor in 2014, HEAs have continued to captivate the interest of superconducting researchers. Owing to the significant degree of disorder inherent in these systems, they serve as…

In this degree work, a theoretical computational study on high entropy alloys (HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi and TiVZrNbHf. The study was based on the parameters deduced from the Hume-Rothery…

Materials Science · Physics 2023-12-19 Jhonn Royero

Two new high-entropy ceramics (HECs) in the weberite and fergusonite structures, along with unexpected formation of ordered pyrochlore phases with ultrahigh-entropy compositions and an abrupt pyrochlore-weberite transition, are discovered…

Materials Science · Physics 2022-01-31 Mingde Qin , Heidy Vega , Dawei Zhang , Sarath Adapa , Andrew J. Wright , Renkun Chen , Jian Luo

Five single-phase WB2- and MoB2-containing high-entropy borides (HEBs) have been made via reactive spark plasma sintering of elemental boron and metals. A large reactive driving force enables the full dissolution of 10-20 mol. % WB2 to form…

Materials Science · Physics 2020-05-15 Mingde Qin , Joshua Gild , Haoren Wang , Tyler Harrington , Kenneth S. Vecchio , Jian Luo

The experimental determination of eutectic points is a long-established and widely used technique, but it is generally only practical for systems with relatively low melting points. Many modern, promising materials, however, are…

Disordered Systems and Neural Networks · Physics 2026-05-18 V. E. Valiulin , A. V. Mikheyenkov , N. M. Chtchelkatchev , E. A. Levashov