Chemical ordering and magnetism in facecentered cubic CrCoNi alloy  

作　　者：Sheuly Ghosh Katharina Ueltzen Janine George Jörg Neugebauer Fritz Körmann 

机构地区：[1]Computational Materials Design,Max-Planck-Institut für Nachhaltige Materialien,D-40237 Düsseldorf,Germany [2]Federal Institute for Materials Research and Testing,Department Materials Chemistry,Unter den Eichen 87,12205 Berlin,Germany [3]Friedrich-Schiller-Universität Jena,Institute of Condensed Matter Theory and Optics,Max-Wien-Platz 1,07743 Jena,Germany [4]Institute for Materials Science,University of Stuttgart,Pfaffenwaldring 55,70569 Stuttgart,Germany [5]Interdisciplinary Centre for Advanced Materials Simulation(ICAMS),Ruhr-Universität Bochum,44801 Bochum,Germany

出　　处：《npj Computational Materials》2024年第1期51-60,共10页计算材料学(英文)

摘　　要：The impact ofmagnetism on chemical ordering in face-centered cubic CrCoNi medium entropy alloy is studied by a combination of ab initio simulations,machine learning potentials,and Monte Carlo simulations.Large magnetic energies are revealed for some mixed L1_(2)/L1_(0) type ordered configurations,which are rooted in strong nearest-neighbor magnetic exchange interactions and chemical bonding among the constituent elements.

关 键 词：ALLOY CoNi CUBIC 

分 类 号：TG1[金属学及工艺—金属学]