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Related papers: Ubiquitous short-range order in multi-principal el…

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Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…

Materials Science · Physics 2026-05-27 Frederic Sansoz , Eve-Audrey Picard

Phase diagrams exhibiting extended solid-solution and lens-like melting are often reproduced using ideal solutions, where ideal mixing considers a fully random configurational entropy of mixing. In the field of irreversible thermodynamics,…

Materials Science · Physics 2024-02-06 Jonathan Paras , Antoine Allanore

The exceptional mechanical strengths of medium and high-entropy alloys have been attributed to hardening in random solid solutions. Here, we evidence non-random chemical mixings in CrCoNi alloys, resulting from short range ordering. A novel…

Materials Science · Physics 2022-06-07 H. W. Hsiao , R. Feng , H. Ni , K. An , J. D. Poplawsky , P. K. Liaw , J. M. Zuo

Multi-principal element alloys (MPEAs) exhibit exceptional properties but face significant challenges in developing accurate machine-learning potentials (MLPs) due to their vast compositional and configurational complexity. Here, we…

Materials Science · Physics 2025-10-21 Yan Liu , Jiantao Wang , Hongkun Deng , Yan Sun , Xing-Qiu Chen , Peitao Liu

The equilibrium vacancy concentration in multi-principal element alloys remains a controversial and nontrivial subject, primarily because of chemical complexity and chemical short-range order (CSRO). Here we derive an exact expression that…

Materials Science · Physics 2025-12-30 Hao Tang , Hoje Chun , Rafael Gomez-Bombarelli , Yuri Mishin , Ju Li

Solid solution is an important way to enhance the structural and functional performances of materials. In this work, we develop a structural modeling approach to solid solutions based on the similar atomic environment (SAE). We propose the…

Computational Physics · Physics 2020-05-18 Fuyang Tian , De-Ye Lin , Xingyu Gao , Ya-Fan Zhao , Hai-Feng Song

The complex atomic scale structure of high entropy alloys presents new opportunities to expand the deformation theories of mechanical metallurgy. In this regard, solute-defect interactions have emerged as critical piece in elucidating the…

Materials Science · Physics 2025-09-18 Novin Rasooli , Wei Chen , Matthew Daly

Metallurgists have long been accustomed to a trade-off between yield strength and tensile ductility. Extending previously known strain-hardening mechanisms, the emerging multi-principal-element alloys (MPEAs) offer additional help in…

Materials Science · Physics 2024-02-13 Evan Ma , Chang Liu

The functional properties of semiconductors are typically controlled by tailoring their chemical composition and their state of strain, and by controlling their long-range structural order, including the presence of extended defects such as…

High-entropy alloys are characterized by high configurational entropy. Since the discovery of high-entropy alloys (HEA) in 2004, entropy engineering has provided a promising direction for exploiting composition, lattice disorder, band…

Materials Science · Physics 2019-11-12 S. Joseph Poon , Jian He

There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys (MPEAs). In this paper, we develop a machine learning (ML)…

Materials Science · Physics 2022-06-22 Kyungtae Lee , Mukil Ayyasamy , Paige Delsa , Timothy Q. Hartnett , Prasanna V. Balachandran

The chemical short-range order (CSRO) in the crystalline materials influences the properties and its effect is particularly important in the context of the multicomponent materials. We propose a scheme for CSRO parameter or…

Materials Science · Physics 2022-10-20 G. Anand , Swarnava Ghosh , Markus Eisenbach

Multi-principal element alloys (MPEAs) can potentially offer exceptional material properties, but their complex, costly manufacturing limits their scalability. Chemical complexity and complex manufacturing processes lead to the formation of…

Researchers attributed the orderly arranged nanoscale phases observed in many multi-principal element alloys (MPEAs) to spinodal/spinodal-mediated phase transformation pathways. However, spinodal decomposition is not well understood in…

Materials Science · Physics 2023-04-14 Kamalnath Kadirvel , Shalini Roy Koneru , Yunzhi Wang

Nitrogen (N) is a key alloying element that enhances the performance of Fe-Ni-Cr austenitic stainless steels, improving austenite stability, corrosion resistance, and yield strength. However, the role of N in modifying chemical ordering,…

Materials Science · Physics 2025-07-08 Tianyu Su , Brian J. Blankenau , Namhoon Kim , Jessica A. Krogstad , Elif Ertekin

In this study Mo-Nb-Ta-W refractory high-entropy alloys (R-HEAs) have been studied for their phase stability for a wide temperature range (100 K to 2000 K). The equilibrium thermodynamic phases are determined by the changes in enthalpy and…

Materials Science · Physics 2021-03-16 Varnita Bajpai , Soumyadipta Maiti , Shashank Mishra , Beena Rai

The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…

Materials Science · Physics 2024-10-23 Saswat Mishra , Alejandro Strachan

The presence of short-range chemical order can be a key factor in determining the mechanical behavior of metals, but directly and unambiguously determining its distribution in complex concentrated alloy systems can be challenging. Here, we…

Materials Science · Physics 2023-05-17 Michael Xu , Shaolou Wei , Cemal C. Tasan , James M. LeBeau

Multi-principal element alloys (MPEAs) continue to garner interest as structural and plasma-facing materials due to their structure stability and increased resistance to radiation damage. Despite sensitivity of mechanical behavior to…

Materials Science · Physics 2022-04-29 Ankit Roy , Prashant Singh , Ganesh Balasubramanian , Duane D. Johnson

The coherence length of the medium-range order (MRO) in metallic liquids is known to display a Curie-Weiss temperature dependence; its inverse is linearly related to temperature, and when extrapolated from temperatures above the glass…

Soft Condensed Matter · Physics 2022-05-04 Charles K. C. Lieou , Takeshi Egami