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In the use of hydrogen as large-scale energy vector, metal hydrides based on intermetallic compounds play a key role, thanks to mild temperatures and pressures required for the storage. It is increasingly necessary to develop hydrogen-based…

Computational modeling of high entropy alloys (HEA) is challenging given the scalability issues of Density functional theory (DFT) and the non-availability of Interatomic potentials (IP) for molecular dynamics simulations (MD). This work…

Materials Science · Physics 2023-12-04 Gurjot Dhaliwal , Abu Anand , Prasanth B. Nair , Chandra Veer Singh

A novel W-based refractory high entropy alloy with outstanding radiation resistance has been developed. The alloy was grown as thin films showing a bimodal grain size distribution in the nanocrystalline and ultrafine regimes and a unique 4…

In this work, the high-energy-density plasmas (HEDP) evolved from joule-class-femtosecond-laser-irradiated nanowire array (NWA) targets are numerically and experimentally studied. The particle-in-cell (PIC) simulations indicate that ions…

High entropy alloys are finding significant scientific interest due to their exotic microstructures and exceptional properties resulting thereof. These alloys have excellent corrosion resistance and may find broad range of applications from…

Applied Physics · Physics 2021-06-08 Aditya Ayyagari , Riyadh Salloom , Harpreet Singh Arora , Sundeep Mukherjee

Medium or high-entropy alloys (MEAs-HEAs) and rhenium-based compounds with a non-centrosymmetric (NC) structure have received a lot of attention for offering a fertile soil in search for unconventional superconductivity. Here, five…

Herein, we report the synthesis and detailed superconducting properties of a new high entropy alloy superconductor with nominal composition Nb$_{20}$Re$_{20}$Zr$_{20}$Hf$_{20}$Ti$_{20}$ using powder X-ray diffraction (XRD),…

Superconductivity · Physics 2018-04-27 Sourav Marik , Maneesha Varghese , K. P. Sajilesh , Deepak Singh , R. P. Singh

Understanding the strengthening and deformation mechanisms in refractory high-entropy alloys (HEAs), proposed as new high-temperature material, is required for improving their typically insufficient room-temperature ductility. Here,…

Materials Science · Physics 2020-03-23 Xiaoqing Li , Wei Li , Douglas L. Irving , Lajos K. Varga , Levente Vitos , Stephan Schönecker

We present a two-well terahertz (THz) quantum cascade laser designed for high temperature operation based on the InGaAs/AlInAs material system. The lighter effective mass and higher energy barriers increase the gain at high temperatures (T…

A high-intensity proton beam exposure with 181 MeV energy has been conducted at Brookhaven Linac Isotope Producer facility on various material specimens for accelerator targetry applications, including titanium alloys as a beam window…

The yield strength plateau of two BCC refractory high entropy alloys (RHEAs) - MoNbTaVW and MoNbTaW was examined through hybrid Monte Carlo and molecular dynamics (MC/MD) simulations. By analyzing atomic diffusivities derived from vacancy…

Materials Science · Physics 2025-10-07 Sai Anandhi Seetharaman , Soumyadipta Maiti , Ambesh Gupta , Beena Rai

It has been shown that oxide ceramics containing multiple transition and/or rare-earth elements in equimolar ratios have a strong tendency to crystallize in simple single phase structures, stabilized by the high configurational entropy. In…

Materials Science · Physics 2019-03-27 Ralf Witte , Abhishek Sarkar , Robert Kruk , Benedikt Eggert , Richard A. Brand , Heiko Wende , Horst Hahn

High-entropy alloys (HEAs) with concentrated solid solutions are conceived to possess a rugged atomic and energy landscape in which dislocation motion necessarily proceeds to accommodate mechanical deformation. Fundamental questions remain…

Materials Science · Physics 2022-05-24 X. Wang , F. Maresca , P. Cao

Metal hydrides (MH) are often preferred to absorb and desorb hydrogen at ambient temperature and pressure with a high volumetric density. These hydrogen storage alloys create promising prospects for hydrogen storage and can solve the…

Materials Science · Physics 2012-07-17 N. G. Anagnostou , S. S. Makridis , E. S. Kikkinides , C. N. Christodoulou , A. K. Stubos

NiTi-based high-temperature shape memory alloys (HTSMAs) such as NiTiHf have been utilized in a broad range of applications due to their high strength and work output, as well as, their ability to increase the transformation temperatures…

The design of corrosion-resistant high entropy alloys (CR-HEAs) is challenging due to the alloys' virtually astrological composition space. To facilitate this, efficient and reliable high-throughput exploratory approaches are needed. Toward…

Materials Science · Physics 2021-04-22 Thien Duong , Yafei Wang , Xiaoli Yan , Adrien Couet , Santanu Chaudhuri

A simple fitting approach is introduced for modeling the strength (hardness) of quaternary and quinary face-centered cubic (fcc) solid solution high entropy alloys (HEAs) in Co-Cr-Fe-Mn-Ni system. It is proposed that the strength of solid…

Materials Science · Physics 2020-05-19 A. Shafiei

A known issue for future nuclear reactors is helium accumulation inside the steel structure materials, responsible for structural issues such as embrittlement and cracking. One possible solution is using new types of reinforced steel, such…

This work presents a comprehensive investigation of the HH alloy NaVAs using first - principles methods, emphasizing its potential applications in various fields, including spintronics, thermoelectrics, and optoelectronics. We utilized…

Materials Science · Physics 2025-09-09 Rajinder Singh , Shyam Lal Gupta , Sumit Kumar , Lalit Abhilashi , Diwaker , Ashwani Kumar

Half-Heusler (HH) alloys are potential thermoelectric materials for use at elevated temperatures due to their high Seebeck coefficient and superior mechanical and thermal stability. However, their enhanced lattice thermal conductivity is…

Materials Science · Physics 2025-04-23 Rajeev Ranjan