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Inorganic/inorganic composites are found in multiple applications crucial for the energy transition, from nuclear reactor to energy storage devices. Their microstructures dictate a number of properties, such as mass transport or fracture…

Materials Science · Physics 2024-01-25 Tianhui Jiang , Shitong Zhou , Yinglun Hong , Erik Poloni , Eduardo Saiz , Florian Bouville

Recently, Liu et al. reported that Ti2CTx MXene have ultra-high hydrogen storage capacity (8.8 wt.%) at room temperature. For the purpose to clearly understand the hydrogen storage (H-storage), the composition of studied samples should be…

Materials Science · Physics 2021-04-28 Sen Jin , Qianku Hu , Aiguo Zhou

The ability to manufacture nanomaterials with complex and structured composition using otherwise incompatible materials increasingly underpins the next generation of technologies. This is translating into growing efforts integrating a wider…

Materials Science · Physics 2014-01-22 Masood Naqshbandi , John Canning , Brant C. Gibson , Maxwell J. Crossley

The intermetallic compound, YRhAl, has been prepared and is found to be isomorphic with RRhAl (R=Pr, Nd, Gd, Ho and Tm) compounds crystallizing in the orthorhombic TiNiSi-type structure (Space group Pnma). Heat capacity and electrical…

Superconductivity · Physics 2009-11-10 Darshan C. Kundaliya , S. K. Malik

Hyperuniform patterns present enhanced physical properties that make them the new generation of cutting-edge technological devices. Synthesizing devices with tens of thousands of components arranged in a hyperuniform fashion has thus become…

We describe a novel mechanism for the synthesis of a stable high-entropy alloy powder from an otherwise immiscible Mg-Ti rich metallic mixture by employing high-energy mechanical milling. The presented methodology expedites the synthesis of…

We suggest that a family of Ni-based compounds, which contain [Ni$_2$M$_2$O]$^{2-}$(M=chalcogen) layers with an antiperovskite structure constructed by mixed-anion Ni complexes, NiM$_4$O$_2$, can be potential high temperature…

Superconductivity · Physics 2018-08-06 Congcong Le , Jinfeng Zeng , Guang-Han Cao , Jiangping Hu

New refractory alloys are being continuously designed and characterised for applications requiring good high-temperature mechanical properties and stability. Computational design from atomistic simulations is limited by interatomic…

Materials Science · Physics 2026-03-05 Jesper Byggmästar , Tiago Lopes , Zheyong Fan , Tapio Ala-Nissila

In this present investigation, we discussed the synthesis, microstructure, and hydrogen storage behavior intermetallic Laves phase in a hexanal TiVZrMnCoFe high entropy alloy. In this HEA, three elements are hydride-forming elements and the…

Materials Science · Physics 2023-01-13 A. Kumar , T. P. Yadav , M. A. Shaz , N. K. Mukhopadhyay

Intermetallic compounds such as {A$_{2}$B$_{7}$} alloys are promising candidates for mobile hydrogen storage applications due to their high and reversible hydrogen absorption capacity. We compute the absorption isotherm of…

Deterministic and versatile approaches to sample preparation on nanoscopic scales are important in many fields including photonics, electronics, biology and material science. However, challenges exist in meeting many nanostructuring…

We propose a novel solid-phase epitaxy technique applicable to high annealing temperatures up to 1000 C without re-vaporization of alkali metal elements with high vapor pressures. This technique is demonstrated through the successful growth…

Materials Science · Physics 2016-04-12 Taisuke Hatakeyama , Hikaru Sato , Hidenori Hiramatsu , Toshio Kamiya , Hideo Hosono

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures. Previous networks trained on two million materials…

It was predicted that solid metallic hydrogen can be obtained if solid molecular hydrogen is pressured to high pressure at low temperature about 80 years ago. Furthermore, the solid metallic hydrogen was theoretically predicted to show…

Materials Science · Physics 2018-11-28 Yasushi Kawashima

Beamline components, such as superconducting radio frequency cavities and focusing lenses, need to be assembled together in a string while in a cleanroom environment. The present contribution identifies and characterizes materials for…

Accelerator Physics · Physics 2024-06-19 Jacopo Bernardini , Mattia Parise , Donato Passarelli

In this degree work, a theoretical computational study on high entropy alloys (HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi and TiVZrNbHf. The study was based on the parameters deduced from the Hume-Rothery…

Materials Science · Physics 2023-12-19 Jhonn Royero

Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use.…

Metal-based additive manufacturing (AM) represents a paradigm change in engineering and production methods across multiple industries and sectors. AM methods enable mass reduction and performance optimisation well beyond that achievable via…

In materials science, selecting the right synthesis technique for specific compounds is one of the most important steps. High-pressure conditions have a significant effect on the crystal growth processes, leading to the creation of unique…

Materials Science · Physics 2024-02-16 N. D. Zhigadlo

We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic…

Materials Science · Physics 2011-10-03 M. Klintenberg , O. Eriksson