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From the ancient Stone Age to today’s Information Age, the development of new materials always promotes the progress of technology. Metallic materials have been evolved from simple to complex compositions, promoting the advancements of human civilization. In the last two eras, the brand-new multi-principal ...

From the ancient Stone Age to today’s Information Age, the development of new materials always promotes the progress of technology. Metallic materials have been evolved from simple to complex compositions, promoting the advancements of human civilization. In the last two eras, the brand-new multi-principal element materials have attracted tremendous attentions, and are always characterized by new fundamental questions, endless new discoveries and vigorous controversies. Through solidifying three or more elements with equal or near-equal molar ratio, multi-principal element materials exhibit novelty material design strategy and outstanding mechanical performance.

Massive work has been published, including several reviews and books with focus on the experimental research. These works help a lot for the experimental development of multi-principal element materials. However, related theoretical models and simulation methods in this field are lack of attention, thereby evolve slowly. Accordingly, the systematic summary and detailed introduction of the modeling and simulations of multi-principal element materials become the changeling issues that need to be solved urgently.
This Research Topic aims to solicit state-of-the-art developments in the broad field of modeling and simulation for the multi-principal element materials. Areas covered in this Research Topic include, but are not limited to:
• Materials design and applications
• High-performance computing
• Advanced multi-scale computational methods
• Process and microstructure
• Mechanical, and physical properties
• Applications of artificial intelligence
• Combined experimental and numerical studies

Keywords: Modeling; Molecular Dynamics Simulation; First Principles; Phase Field Modeling; Strength


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