First-Principles-Based Structural and Mechanical Properties of Al<sub>3</sub>Ni Under High Pressure

First-Principles-Based Structural and Mechanical Properties of Al<sub>3</sub>Ni Under High Pressure

The structural, elastic, and thermal characteristics within the 0–30 GPa pressure range of Al<sub>3</sub>Ni intermetallic compounds were extensively studied using first-principles computational techniques. Using structural optimization, lattice parameters and the variation in volume vari...

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Bibliographic Details
Main Authors: Chuncai Xiao, Baiyuan Yang, Zhangli Lai, Zhiquan Chen, Huaiyang Yang, Hui Wang, Yunzhi Zhou, Xianshi Zeng
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Crystals
Subjects:
high-pressure properties
first-principles calculations
Al<sub>3</sub>Ni
elastic constants
Online Access:https://www.mdpi.com/2073-4352/15/1/3
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