What is it about?

We studied the mechanical properties of Ti-Nb alloys by all-electron density functional theory (DFT) calculations.

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Why is it important?

The mechanical properties of Ti-Nb alloys and the origin of its low Young's modulus (E) are explained based on the individual contribution of the different crystalline phases in the real material. The averaged E reproduces the experimental Ti-Nb Young's modulus w-shaped curve. E-surface reveals highly anisotropic E values for all Ti-Nb phases.


Eβ exhibits values under 30 GPa along the [100] direction for Nb compositions larger than 12 at. %, suggesting that the orientational growth of a Ti-Nb alloy is important for the design of low-rigidity alloys, especially at small Nb concentrations. The outcomes of our study can be used as a guide for the design of novel low-rigidity alloys for biomedical applications

Dr Julio Gutiérrez Moreno
Barcelona Supercomputing Center

Read the Original

This page is a summary of: An ab initio study of the structural and mechanical alterations of Ti-Nb alloys, Journal of Applied Physics, December 2018, American Institute of Physics,
DOI: 10.1063/1.5025926.
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