Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations

MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though offering a vast chemical and phase space, relatively few MABs have been synthesised. To guide experiments, we perform high-throughput ab initio scree...

Полное описание

Библиографические подробности
Главные авторы: Nikola Koutná, Lars Hultman, Paul H. Mayrhofer, Davide G. Sangiovanni
Формат: Статья
Язык:English
Опубликовано: Elsevier 2024-05-01
Серии:Materials & Design
Предметы:
MAB phase
Ab initio
Phase stability
Elastic constants
Ductility
Online-ссылка:http://www.sciencedirect.com/science/article/pii/S0264127524003332

Internet

http://www.sciencedirect.com/science/article/pii/S0264127524003332

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