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New approaches for the design of alloy systems with multiprincipal elements is recently researched in refractory materials field. However, most research aimed at arc melting process with weakness of coarsening of grains and inhomogeneous…

Materials Science · Physics 2018-01-03 Yuqiao Li , Junho Lee , Byungchul Kang , Soon Hyung Hong

Three novel precipitation strengthened bcc alloys which exhibit a smooth microstructural gradient with composition have been fabricated in bulk form by induction casting. All three alloys are comprised of a mixture of disordered A2-(Fe, Cr)…

Materials Science · Physics 2021-03-23 Silas Wolff-Goodrich , Sebastian Haas , Uwe Glatzel , Christian Liebscher

Phase equilibria in the Al-Ti-Nb-Zr-Ta refractory complex concentrated alloy system were investigated using a high throughput experimental approach. A pseudo-ternary section of the quinary compositional space was prepared by a honeycomb…

Designing complex concentrated alloys (CCA), also known as high entropy alloys (HEA), requires reliable and accessible thermodynamic predictions due to vast space of possible compositions. Numerous semiempirical parameters have been…

We investigate the thermodynamics and phase stability of the AlTiVCr lightweight high-entropy alloy using a combination of ab initio electronic structure calculations, a concentration wave analysis, and atomistic Monte Carlo simulations. In…

Materials Science · Physics 2026-01-26 Christopher D. Woodgate , Hubert J. Naguszewski , Nicolas F. Piwek , David Redka

We demonstrate the development of a series of refractory high-entropy alloys containing aluminum AlRHEAs in the ordered BCC-B2 phase by varying the aluminum content within 10 to 25 atomic percent, with the goal of high strength and good…

Materials Science · Physics 2024-02-27 Jie Qi , Xuesong Fan , Diego Ibarra Hoyos , Peter K. Liaw , S. Joseph Poon

High entropy alloys (HEAs) are multicomponent compounds whose high configurational entropy allows them to solidify into a single phase, with a simple crystal lattice structure. Some HEA's exhibit desirable properties, such as high specific…

Materials Science · Physics 2017-06-29 Rui Feng , Peter K. Liaw , Michael C. Gao , Michael Widom

From systematic ab initio calculations of the alloy system Mg_{1-x}Al_{x}B_2, we find a strong tendency for the formation of a superstructure characterized by Al-rich layers. We also present a simple model, based on calculated energies and…

Superconductivity · Physics 2009-11-07 Sergey V. Barabash , David Stroud

To enhance our understanding of oxidation in high-entropy alloys, the early stages of oxidation on the surface of Al10Nb15Ta5Ti30Zr40 were studied using density functional theory and thermodynamic modeling. Surface slabs were generated from…

Materials Science · Physics 2025-07-29 Tyler D. Doležal , Adib J. Samin

We study the phase behaviour of the Al$_x$CrFeCoNi high-entropy alloy. Our approach is based on a perturbative analysis of the internal energy of the paramagnetic solid solution as evaluated within the Korringa-Kohn-Rostoker formulation of…

Materials Science · Physics 2024-12-02 Christopher D. Woodgate , George A. Marchant , Livia B. Pártay , Julie B. Staunton

Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal$-$element alloys. We present phase and property analysis of quinary…

Ti$_{1-x-y}$Al$_{x}$Zr$_{y}$N cubic alloys within the 25-70\% Al composition range have high age-hardening capabilities due to metastable phase transition pathways at high temperatures. They are thus ideal candidates for ultra-hard…

Materials Science · Physics 2019-12-10 Vahid Attari , Aitor Cruzado , Raymundo Arroyave

With first-principles theoretical analysis of the local structure using Bond Orientational Order parameters and Voronoi partitioning, we establish (a) HCP$\rightarrow$BCC structural transformation in high-entropy alloys (HEAs)…

Materials Science · Physics 2023-06-21 Narendra Kumar , Umesh V. Waghmare

The real-time dissolution of the single-phase compositionally complex alloy (CCA), Al1.5TiVCr, was studied using an inline inductively coupled plasma method. Compositionally complex alloys (CCAs), a term encompassing high entropy alloys…

In this paper we show that an effective Hamiltonian fit with first principles calculations predicts an order/disorder transition occurs in the high entropy alloy MoNbTaW. Using the Alloy Theoretic Automated Toolset, we find T=0K enthalpies…

Materials Science · Physics 2014-02-10 William Paul Huhn , Michael Widom

Multi-principal-element alloys, including high-entropy alloys, experience segregation or partially-ordering as they are cooled to lower temperatures. For Ti$_{0.25}$CrFeNiAl$_{x}$, experiments suggest a partially-ordered B2 phase, whereas…

Materials Science · Physics 2021-05-11 Prashant Singh , A. V. Smirnov , Aftab Alam , Duane D. Johnson

The structure and thermodynamic properties of Ti$_x$(HfNbTaZr)$_{(1-x)/4}$ from Refractory High Entropy multicomponent Alloys to pure titanium are investigated employing comprehensive MCSQS realizations of the disordered atomic structure…

Materials Science · Physics 2024-07-18 Asif I. Bhatti , Marwa Al-Houcine , David Tingaud , Sylvain Queyreau

This work demonstrates the development of a strong and ductile medium entropy alloy by employing conventional alloying and thermomechanical processing to induce partial recrystallization (PR) and precipitation strengthening in the…

Materials Science · Physics 2021-09-29 Nithin Baler , Abdulla Samin M , Akshat Godha , Surendra Kumar Makineni

Al-Mg-Si alloys are utilized in large scale electrical conduction applications thanks to their low density, high strength, and low electrical resistivity. The alloying elements, Mg and Si, are introduced to improve the mechanical strength;…

Materials Science · Physics 2025-09-30 Gautam Kumar , Amram Azulay , Omer Coriat , Hanna Bishara

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
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