An approach to design single BCC Mg-containing high entropy alloys for hydrogen storage applications

作     者：Strozi, R. B. Leiva, D. R. Huot, J. Botta, W. J. Zepon, G. 

作者机构：Univ Fed Sao Carlos Grad Program Mat Sci & Engn Rod Washington LuisKm 235 BR-13565905 Sao Carlos SP Brazil Univ Quebec Trois Rivieres Inst Rech Hydrogene Trois Rivieres PQ Canada Univ Fed Sao Carlos Dept Mat Engn Rod Washington LuisKm 235 BR-13565905 Sao Carlos SP Brazil 

出 版 物：《INTERNATIONAL JOURNAL OF HYDROGEN ENERGY》 (国际氢能杂志)

年 卷 期：2021年第46卷第50期

页      面：25555-25561页

核心收录：

学科分类：0820[工学-石油与天然气工程] 08[工学] 0807[工学-动力工程及工程热物理] 0703[理学-化学] 

基　　金：Serrapilheira Institute [Serra170917362] Coordenacao de Aperfeicoamento de Pessoal de Nvel Superior - Brasil (CAPES) 

主　　题：High entropy alloy Metal hydride Alloy design BCC high entropy alloy Hydrogen storage 

摘      要：Mg is a lightweight element that can increase the gravimetric hydrogen storage capacity of high entropy alloys (HEAs). This work presents a new approach to design single-phase Mg-containing HEAs with attractive hydrogen storage properties. The design method is based on four calculated parameters (phi, VEC, (Delta H-infinity) over bar and ) that allow us to find alloy compositions that form single body-centered cubic (BCC) solid solutions with high hydrogen affinity. The method was tested in the Mg-Al-Ti-Mn-Nb system and the Mg12Al11Ti33Mn11Nb33 alloy was selected among 1326 calculated compositions. This alloy was produced by high energy ball milling resulting in a homogeneous single-phase BCC alloy that absorbed 1.7 wt.% of H by forming a BCC monohydride. Despite its H uptake being H/M = 1, the gravimetric capacity of the lightweight Mg12Al11Ti33Mn11Nb33 alloy was comparable to refractory BCC-HEAs with H uptake of H/M = 2. (C) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.