First-Principles Computation of Microscopic Mechanical Properties and Atomic Migration Behavior for Al<sub>4</sub>Si Aluminum Alloy

First-Principles Computation of Microscopic Mechanical Properties and Atomic Migration Behavior for Al<sub>4</sub>Si Aluminum Alloy

In this paper, the interfacial behavior and the atom diffusion behavior of an Al<sub>4</sub>Si alloy were systematically investigated by means of first-principles calculations. The K-points and cutoff energy of the computational system were determined by convergence tests, and the surfac...

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Bibliographic Details
Main Authors: Jingtao Huang, Jingteng Xue, Mingwei Li, Yuan Cheng, Zhonghong Lai, Jin Hu, Fei Zhou, Nan Qu, Yong Liu, Jingchuan Zhu
Format: Article
Language:English
Published: MDPI AG 2023-09-01
Series:Metals
Subjects:
aluminum alloy
interface stability
diffusion migration behavior
micro-mechanical properties
first-principles calculations
Online Access:https://www.mdpi.com/2075-4701/13/9/1622

Internet

https://www.mdpi.com/2075-4701/13/9/1622

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