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The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy (HEA) obtained from X-ray photoelectron spectroscopy has been compared to that recently calculated by Odbadrakh et al, 2019. Both experimental and theoretical VBs show…

High entropy alloys (HEAs) have attracted substantial interest in recent years. Thus far, most investigations have focused on their applications as structural materials rather than functional materials. In this paper, we show that…

We have characterized the superconducting critical temperature ($T_\mathrm{c}$), the Debye temperature ($\theta_\mathrm{D}$), the electronic specific heat coefficient, and the Vickers microhardness of HfNbTiVZr, NbTiZr, HfNbTi, HfNbZr, and…

High-entropy alloys (HEAs) are complex alloys containing multiple elements in high concentrations. Plasticity in HEAs is carried by dislocations, but the random nature of their composition pins dislocations, effectively hindering their…

Materials Science · Physics 2024-10-30 Hoa Thi Le , Wolfram G. Nöhring , Lars Pastewka

Identifying single phase, high-entropy systems has been a prominent research focus of materials engineering over the past decade. The considerable effort in computational modeling and experimental verification has yielded several methods…

Materials Science · Physics 2024-09-02 Kevin Kaufmann , Haoren Wang , Jaskaran Saini , Kenneth S. Vecchio

Lattice Parameter is an important material feature in High Entropy Alloy (HEA) Design. Vegards Law is typically used to estimate lattice parameters but is often inaccurate for metal alloys due to an inability to account for charge transfer…

Materials Science · Physics 2022-03-18 Chris Tandoc , Liang Qi , Yong-Jie Hu

Proposed as blanket structural materials for fusion power reactors, reduced activation ferritic/martensitic (RAFM) steel undergoes volume expanding and contracting in a cyclic mode under service environment. Particularly, being subjected to…

Order-disorder effects on equation of state (EOS) properties of substitutional binary alloys are investigated with the cluster variation method (CVM) based on ab initio effective cluster interactions (ECI). Calculations are applied to the…

Materials Science · Physics 2012-03-06 H. Y. Geng , M. H. F. Sluiter , N. X. Chen

High-entropy alloys (HEAs) are known for superb combination of performance attributes, making them ideal for advanced applications, e.g., nuclear engineering. The concept of cobalt-free HEAs aims to mitigate concerns about cobalt's…

Materials Science · Physics 2026-05-12 Xuliang Luo , Yulin Li , Tero Mäkinen , Silvia Bonfanti , Wenyi Huo , Mikko J. Alava

A simple fitting approach is used for modeling the compressive yield strength of body centered cubic (bcc) solid solution high entropy alloys in Al-Hf-Nb-Mo-Ta-Ti-V-Zr system. It is proposed that the yield strength could be modeled by a…

Materials Science · Physics 2020-08-21 Ali Shafiei

Bulk metallic glass forms when liquid metal alloys solidify without crystalization. In the search for Iron-based bulk glass-forming alloys of the metal-metalloid type (Fe-B- and Fe-C-based), crystals based on the structural prototype C6Cr23…

Materials Science · Physics 2009-11-10 M. Widom , M. Mihalkovic

Even if the atoms of a multicomponent alloy occupy a common lattice, their distribution is not homogeneous, and regions with different compositions can be detected. Three representative examples will be discussed: a Cantor-type system…

Materials Science · Physics 2026-05-12 Vaclav Paidar , Pavel Lejcek , Andrea Skolakova

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex…

Materials Science · Physics 2026-01-21 Jian Luo

The class of unconventional superconductors, particularly noncentrosymmetric superconductors, has been highly considered as potential materials for understanding the complex properties of quantum materials. Here, five previously unreported…

Equiatomic TaNbHfZr and TaNbHfZrTi high-entropy alloys (HEAs) have been investigated for their phase stability, short-range clustering (SRC) type chemical ordering, other structural phenomena and and the effects on strengthening. Ab-initio…

Materials Science · Physics 2016-01-25 Soumyadipta Maiti , Walter Steurer

Using fluorite oxides as an example, this study broadens high-entropy ceramics (HECs) to compositionally-complex ceramics (CCCs) or multi-principal cation ceramics (MPCCs) to include medium-entropy and/or non-equimolar compositions. Nine…

Materials Science · Physics 2020-01-08 Andrew J. Wright , Qingyang Wang , Chuying Huang , Andy Nieto , Renkun Chen , Jian Luo

Using first principles calculations based on density functional theory, we study the geometric, electronic, and magnetic properties of Pt, Ni and Co-based half Heusler alloys, namely, Pt$BC$, Ni$BC$ and Co$BC$ ($B$ = Cr, Mn and Fe; $C$ =…

Materials Science · Physics 2019-05-29 Madhusmita Baral , Aparna Chakrabarti

To quickly screen for single-phased multi-principal-element materials, a so-called entropy forming ability (EFA) parameter is sometimes used as a descriptor. The higher the EFA, the higher is the propensity to form a single-phase structure,…

Materials Science · Physics 2023-05-12 Andreas Kretschmer , Paul Heinz Mayrhofer

High-entropy alloys have shown much interest and unusual materials properties. The stability of equimolar single-phase solid solution of five or more elements is likely to be rare and identifying the existence of such alloys has been very…

In traditional body-centered cubic (bcc) metals, the core properties of screw dislocations play a critical role in plastic deformation at low temperatures. Recently, much attention has been focused on refractory high-entropy alloys (RHEAs),…

Materials Science · Physics 2020-06-26 Sheng Yin , Jun Ding , Mark Asta , Robert O. Ritchie