He Mengwei, Davids William J, Breen Andrew J, Ringer Simon P
Australian Centre for Microscopy and Microanalysis, and School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, New South Wales, Australia.
Nat Mater. 2024 Sep;23(9):1200-1207. doi: 10.1038/s41563-024-01912-1. Epub 2024 Jul 2.
Medium- and high-entropy alloys are an emerging class of materials that can exhibit outstanding combinations of strength and ductility for engineering applications. Computational simulations have suggested the presence of short-range order (SRO) in these alloys, and recent experimental evidence is also beginning to emerge. Unfortunately, the difficulty in quantifying the SRO under different heat treatment conditions has generated much debate on the atomic preferencing and implications of SRO on mechanical properties. Here we develop an approach to measure SRO using atom probe tomography. This method balances the limitations of atom probe tomography with the threshold values of SRO to map the regimes where the required atomistic neighbourhood information is preserved and where it is not. We demonstrate the method with a case study of the CoCrNi alloy and use this to monitor SRO changes induced by heat treatments. These species-specific SRO measurements enable the generation of computational simulations of atomic neighbourhood models that are equivalent to the experiment and can contribute to the further understanding and design of medium- and high-entropy alloys and other materials systems where SRO may occur.
中熵合金和高熵合金是一类新兴材料,在工程应用中可展现出强度与延展性的出色组合。计算模拟表明这些合金中存在短程有序(SRO),近期也开始出现相关实验证据。遗憾的是,在不同热处理条件下量化SRO存在困难,这引发了关于原子偏好以及SRO对力学性能影响的诸多争论。在此,我们开发了一种利用原子探针断层扫描来测量SRO的方法。该方法在原子探针断层扫描的局限性与SRO阈值之间取得平衡,以绘制出保留所需原子邻域信息和未保留该信息的区域。我们通过对CoCrNi合金的案例研究来演示该方法,并以此监测热处理引起的SRO变化。这些特定物种的SRO测量能够生成与实验等效的原子邻域模型的计算模拟,有助于进一步理解和设计中熵合金和高熵合金以及其他可能出现SRO的材料体系。