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Thermodynamic descriptions of all binaries within the Cr-Fe-Mo-Nb-Ni system have been complied and, where necessary, remodeled. Notably, the Cr-Fe and Fe-Mo systems have been remodeled using comprehensive sublattice models for the…

Materials Science · Physics 2025-07-23 Hui Sun , Shun-Li Shang , Shuang Lin , Jingjing Li , Allison M. Beese , Zi-Kui Liu

For the first time, this study shows that distortion in a crystal structure due to magnetic effect is possible in a lattice with extreme chemical disorder. The multicomponent equimolar transition metal oxide (ME TMO), (Co,Cu,Mg,Ni,Zn)O,…

The synthesis and characterization, along with the resulting properties, of fully dense \((\mathrm{Cr, Mo, Ta, V, W})\mathrm{C}\) high-entropy carbide ceramics were studied. The ceramics were synthesized from metal oxide and carbon powders…

The development of oxidation-resistant high-entropy alloy (HEA) bond coats is restricted by the limited understanding of how multi-principal element interactions govern scale formation across temperatures. This study uncovers new oxidation…

Materials Science · Physics 2025-12-18 Dennis Boakye , Chuang Deng

The stability of Cr, V, Al carbide MAX phases, materials of interest for a variety of magnetic as well as high temperature applications, has been studied using density-functional-theory first-principles calculations. The enthalpy of mixing…

Materials Science · Physics 2019-01-02 Joas Grossi , Shafqat H. Shah , Emilio Artacho , Paul D. Bristowe

The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and then it was successfully fabricated by hot pressing…

Materials Science · Physics 2019-03-01 Beilin Ye , Tongqi Wen , Manh Cuong Nguyen , Luyao Hao , Cai-Zhuang Wang , Yanhui Chu

We investigated the influence of doping antiferromagnetic MnN in polycrystalline MnN/CoFe exchange bias systems, showing high exchange bias of up to 1800 Oe at room temperature. The thermal stability of those systems is limited by nitrogen…

Materials Science · Physics 2021-12-08 Mareike Dunz , Björn Büker , Markus Meinert

Many applications of molecular layers deposited on metal surfaces, ranging from single-atom catalysis to on-surface magnetochemistry and biosensing, rely on the use of thermal cycles to regenerate the pristine properties of the system.…

Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…

Materials Science · Physics 2022-02-02 Charlette M. Grigorian , Timothy J. Rupert

Using density functional theory calculations, many researchers have predicted that various tungsten-nitride compounds WN$_x$ ($x$ > 1) will be "ultra-compressible" or "superhard", $i.e.$ as hard as or harder than diamond. These compounds…

Materials Science · Physics 2015-06-11 Michael J. Mehl , Daniel Finkenstadt , Christian Dane , Gus L. W. Hart , Stefano Curtarolo

Superconductivity has been one of the focal points in medium and high-entropy alloys (MEAs-HEAs) since the first discovery of the HEA superconductor in 2014. Until now, most HEAs' superconducting transition temperature (Tc) has not exceeded…

Superconductivity · Physics 2025-05-23 Lingyong Zeng , Jie Wang , Hongyu Liu , Longfu Li , Jinjun Qin , Yucheng Li , Rui Chen , Jing Song , Yusheng Hou , Huixia Luo

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

Development of new high-entropy oxides having configurational entropy dominating the phase stability has become a hot topic since the discovery of rock salt structure entropy-stabilized (ES)(MgCoNiCuZn)O in 2015. Herein, we report a set of…

Materials Science · Physics 2025-07-01 Ashutosh Kumar , David Bérardan , Francois Brisset , Diana Dragoe , Nita Dragoe

Evolutionary crystal structure prediction searches have been employed to explore the ternary Li-F-H system at 300 GPa. Metastable phases were uncovered within the static lattice approximation, with LiF$_3$H$_2$, LiF$_2$H, Li$_3$F$_4$H,…

Materials Science · Physics 2021-04-07 Tiange Bi , Andrew Shamp , Tyson Terpstra , Russell J. Hemley , Eva Zurek

The mechanical performance and microstructures of a CoCrNi medium-entropy alloy (MEA) and NCoCrNi, alloyed with 0.5at% N, after high pressure torsion (HPT) and subsequent annealing treatments in a temperature range of 150-1000 {\deg}C were…

A comprehensive literature review on recently rediscovered Co- and/or CoNi-based superalloys, strengthened by the {\gamma}' phase, revealed a relationship between the configurational entropy of the system and the {\gamma}' solvus…

Bottom-up design of high-entropy ceramics is a promising approach for realizing materials with unique combination of high hardness and fracture-resistance at elevated temperature. This work offers a simple yet fundamental design criterion -…

Materials Science · Physics 2021-07-02 Davide G. Sangiovanni , William Mellor , Tyler Harrington , Kevin Kaufmann , Kenneth Vecchio

We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme a model alloy is generated which…

Microstructure, phase transitions, electrical conductivity, and optical and electrooptical properties of multiwalled carbon nanotubes (NTs), dispersed in the cholesteric liquid crystal (cholesteryl oleyl carbonate, COC), nematic 5CB and…

Two single crystal phases of tantalum nitride were stabilized on c-plane sapphire using molecular beam epitaxy. The phases were identified to be $\delta$-TaN with a rocksalt cubic structure and $\gamma$-Ta$_2$N with a hexagonal structure.…