Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure

Theoretical Predictions of Structure, Mechanics, Dislocation, and Electronics Properties of FeTi Alloy at High Pressure

The influences of applied pressure on the structure, mechanics, dislocation, and electronics properties of an FeTi hydrogen storage alloy are theoretically investigated via first-principles calculations. The lattice parameter ratio, elastic constant, Young’s modulus, bulk modulus, shear modulus, duc...

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Bibliographic Details
Main Authors: Linkun Zhang, Hong Chen, Zhipeng Wang, Li Ma, Pingying Tang
Format: Article
Language:English
Published: MDPI AG 2023-09-01
Series:Metals
Subjects:
FeTi alloy
hydrogen storage
density functional theory
mechanical properties
energy factor
high pressure
Online Access:https://www.mdpi.com/2075-4701/13/9/1547

Internet

https://www.mdpi.com/2075-4701/13/9/1547

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