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原子键合如何在Al-Co-Cr-Cu-Fe-Ni高熵合金系中影响硬度行为。

How Atomic Bonding Plays the Hardness Behavior in the Al-Co-Cr-Cu-Fe-Ni High Entropy Family.

作者信息

Fantin Andrea, Lepore Giovanni O, Widom Michael, Kasatikov Sergey, Manzoni Anna M

机构信息

Department of Materials Engineering Federal Institute of Materials Research and Testing (BAM) Unter der Eichen 87 12205 Berlin Germany.

Department of Microstructure and Residual Stress Analysis Helmholtz-Zentrum Berlin Hahn-Meitner-Platz 1 14109 Berlin Germany.

出版信息

Small Sci. 2023 Dec 7;4(2):2300225. doi: 10.1002/smsc.202300225. eCollection 2024 Feb.

DOI:10.1002/smsc.202300225
PMID:40212356
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11935079/
Abstract

A systematic study on a face-centered cubic-based compositionally complex alloy system AlCoCrCuFeNi in its single-phase state is carried out, where a mother senary compound AlCoCrCuFeNi and five of its suballoys, obtained by removing one element at a time, are investigated and exhaustively analyzed determining the contribution of each alloying element in the solid solution. The senary and the quinaries are compared using experimental techniques including X-ray absorption spectroscopy, X-ray diffraction, transmission electron microscopy, and first principles hybrid Monte Carlo/molecular dynamics simulations. Chemical short-range order and bond length distances have been determined both at the experimental and computational level. Electronic structure and local atomic distortions up to 5.2 Å have been correlated to the microhardness values. A linear regression model connecting hardness with local lattice distortions is presented.

摘要

对单相状态下基于面心立方的成分复杂合金体系AlCoCrCuFeNi进行了系统研究，其中研究了母六元化合物AlCoCrCuFeNi及其通过一次去除一种元素获得的五种亚合金，并进行了详尽分析，以确定每种合金元素在固溶体中的贡献。使用包括X射线吸收光谱、X射线衍射、透射电子显微镜和第一性原理混合蒙特卡罗/分子动力学模拟在内的实验技术对六元合金和五元合金进行了比较。已在实验和计算层面确定了化学短程有序和键长距离。高达5.2 Å的电子结构和局部原子畸变已与显微硬度值相关联。提出了一种将硬度与局部晶格畸变联系起来的线性回归模型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/f8d655257c81/SMSC-4-2300225-g013.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/9b538c46e4ae/SMSC-4-2300225-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/fa01930a4f29/SMSC-4-2300225-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/76fbecb9ca35/SMSC-4-2300225-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/b761e23c47e5/SMSC-4-2300225-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eee6/11935079/0dcdd9550938/SMSC-4-2300225-g005.jpg
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