高熵非晶合金的原子构型及晶化行为研究

高熵非晶合金是一类具有较高混合熵以及优异的力学、物理和化学性能的新型无序结构合金。研究发现，高熵非晶合金具有更加均匀的堆垛结构和较高的热稳定性，并且表现出玻璃转变弛豫和异常缓慢的纳米晶化动力学行为，通过对非晶相的部分晶化处理，可获得纳米相均匀分布的新型结构材料。本项目基于高熵非晶合金目前存在的科学问题和工程材料的需求，设计和制备不同体系的高熵非晶合金，深入探索其原子构型结构和基础性能；科学实验和理论计算结合，科学阐述其晶化机制以及过饱和固溶体析出非晶相的机制，明确高熵合金由无序/有序相互转变的热力学条件和动力学过程；探索工艺条件对合金微观结构的影响，明确微观结构对性能的影响机制。本项目对深入理解非晶材料中的高熵效应和新材料的开发和应用具有重要研究意义。

High-entropy amorphous alloys (HEAs) with high-mixing entropy exhibit peculiar physical, chemical, and mechanical properties. It was found that HEAs have more uniform stacking structures and higher thermal stability, and exhibits glassy transition relaxation and unusually slower crystallization kinetics. Therefore, a new type of structural material with uniform distribution of nanocrystals can be obtained by partial crystallization of HEAs. Basing on the scientific problems of high entropy alloys and requirements on engineering, we propose to design and prepare various HEAs, explore the atomic configurations and basic properties. The crystallization behavior will be systematically investigated by combining scientific experiments with theoretical simulations, demonstrating the thermodynamic conditions and kinetic process for disordered structure to local periodicity. In addition, it is critical to clarify the effects of microstructure on performances and explore the influence of technological conditions on the microstructure of composite materials, which can inspire the deep insight for controlling microstructure. The research has an important theoretical significance for the understanding of high entropy effects in glassy materials and the development of novel engineering materials.