Work

Theoretical and Experimental Studies of the Structural, Phase Stability and Elastic Properties of AlCrTiFeNi Multi-Principle Element Alloy

Year: 2020

Type: article

Abstract: The fundamental challenge for creating the crystal structure model used in a multi-principle element design is the ideal combination of atom components, structural stability, and deformation behavior. However, most of the multi-principle element alloys contain expensive metallic and rare earth elements, which could limit their applicability. Here, a novel design of low-cost AlCrTiFeNi multi-principle element alloy is presented to study the relationship of structure, deformation behavior, and micro-mechanism. This structured prediction of single-phase AlCrTiFeNi by the atomic-size difference, mixing enthalpy ΔHmix and valence electron concentration (VEC), indicate that we can choose the bcc-structured solid solution to design the AlCrTiFeNi multi-principle element alloy. Structural stability prediction by density functional theory calculations (DFT) of single phases has verified that the most advantageous atom occupancy position is (FeCrNi)(AlFeTi). The experimental results showed that the structure of AlCrTiFeNi multi-principle element alloy is bcc1 + bcc2 + L12 phases, which we propose as the fundamental reason for the high strength. Our findings provide a new route by which to design and obtain multi-principle element alloys with targeted properties based on the theoretical predictions, first-principles calculations, and experimental verification.

Source: Materials

DOI: 10.3390/ma13194353

Authors: Li Liu, Ramesh Paudel, Yong Liu, Xiao-Liang Zhao, Jing-Chuan Zhu

Institutions: Harbin Institute of Technology, Nepal Academy of Science and Technology

Language: English

Topic: High Entropy Alloys Studies

Subfield: Mechanical Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,112

Funder: National Natural Science Foundation of China