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A key property of glass forming alloys, the anomalously small volume difference with respect to the crystal, is shown to arise as a direct consequence of the soft repulsive potentials between metals. This feature of the inter-atomic…

Soft Condensed Matter · Physics 2016-05-04 Ian Douglass , Toby Hudson , Peter Harrowell

Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…

Materials Science · Physics 2025-10-28 Haireguli Aihemaiti , Esmat Dastanpour , Anders Bergman , Levente Vitos

Investigation of crystallization in an 5BDSR amorphous alloy by system Fe-Cu-Nb-Si-B under the influence of an incoherent optical radiation generated by gas discharge flash-lamp using X-ray diffraction scattering. It is shown that depending…

Materials Science · Physics 2010-10-26 Ruslan A. Nazipov , Nikolaj A. Zuzin , Anatoly V. Mitin

The term "MAX phase" refers to a very interesting and important class of layered ternary transition-metal carbides and nitrides with a novel combination of both metal and ceramic-like properties that have made these materials highly…

Materials Science · Physics 2014-06-10 Yuxiang Mo , Sitaram Aryal , Paul Rulis , Wai-Yim Ching

Nuclear spent fuel reprocessing generates high level radioactive waste with high Mo concentration that are currently immobilized in borosilicate glass matrices containing both alkali and alkaline-earth elements [1]. Because of its high…

We investigate a metallic glass-forming (GF) material (Al90Sm10) exhibiting a fragile-strong (FS) glass-formation by molecular dynamics simulation to better understand this highly distinctive pattern of glass-formation in which many of the…

Soft Condensed Matter · Physics 2023-06-01 Hao Zhang , Xinyi Wang , Jiarui Zhang , Hai-Bin Yu , Jack F. Douglas

Crystallization from an amorphous atomic structure is usually seen as a spontaneous process in pursuit of a lower energy state, but for alloy systems it is often hard to elucidate because of the intrinsic structural and compositional…

Materials Science · Physics 2020-04-10 Y. Huang , L. Xie , D. S. He , J. Q. He

Primary crystallization in high Al-content metallic glasses is driven by nanometer-diameter regions with internal structure similar to fcc Al. Comparison of fluctuation electron microscopy (FEM) data to FEM simulations of fcc Al clusters…

Materials Science · Physics 2023-01-13 Feng Yi , S. D. Imhoff , J. H. Perepezko , P. M. Voyles

Understanding the conditions which favor crystallisation or vitrification of liquids has been a long-standing scientific problem. Another connected, and not yet well understood question is the relationship between the glassy and the various…

Materials Science · Physics 2012-09-18 Guillaume Ferlat , Ari Paavo Seitsonen , Michele Lazzeri , Francesco Mauri

Ultrafine-grained aluminum alloys offer interesting multifunctional properties with a combination of high strength, low electrical resistivity, and low density. However, due to thermally induced grain coarsening, they typically suffer from…

High pressures allow the synthesis of new metastable compounds that remain intact for a sufficiently long time at normal conditions. Until now, it has not been fully understood how pressure, glass-forming ability and solidification of…

Materials Science · Physics 2022-11-08 S. G. Menshikova , N. M. Chtchelkatchev , V. V. Brazhkin

The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly-annealed Cu-Zr amorphous alloy periodically…

Soft Condensed Matter · Physics 2024-08-30 Nikolai V. Priezjev

The possibility of solid solution formation in high entropy alloys (HEAs) has been calculated for alloys with four to seven elements, using a rule previously reported. Thirty elements were included: transition elements of the fourth, fifth…

Materials Science · Physics 2021-05-03 Oscar Coreno Alonso , Juan Coreno Alonso

We report the results of the Ni-based bulk metallic glass structural evolution and crystallization behavior in situ investigation. The X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam diffraction (NBD),…

It has been known that even though two elemental metals, $X$ and $Y$, are immiscible, they can form alloys on surfaces of other metal $Z$. In order to understand such surface alloying of immiscible metals, we study the energetic stability…

Materials Science · Physics 2021-02-01 Shota Ono , Junji Yuhara , Jun Onoe

Ultrathin passive films effectively prevent the chemical attack of stainless steel grades in corrosive environments; their stability critically depends on the interplay between structure and chemistry of the constituents Fe-Cr-Mo. In…

The influence of cyclic loading and glass stability on structural relaxation and yielding transition in amorphous alloys was investigated using molecular dynamics simulations. We considered a binary mixture cooled deep into the glass phase…

Soft Condensed Matter · Physics 2022-11-09 Pritam Kumar Jana , Nikolai V. Priezjev

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

Hydrogen is a promising clean energy carrier, yet effective and reversible storage remains challenging. AB3-type intermetallic alloys are promising for solid-state hydrogen storage due to intermediate thermodynamic stability and rapid…

Materials Science · Physics 2025-12-29 Hung Ba Tran , Toyoto Sato , Ryuhei Sato , Hiroyuki Saitoh , Shin-ichi Orimo , Hao Li

Ferromagnetic bulk amorphous Fe40Ni40P14B6 alloy rods with a diameter of 1.2 mm can be prepared by means of a rapid quenching technique. If a fluxing technique is also used, amorphous rods with a diameter as large as 2.5 mm can be…

Materials Science · Physics 2007-05-23 Qiang Li