Study of low-modulus biomedical β Ti–Nb–Zr alloys based on single-crystal elastic constants modeling

Study of low-modulus biomedical β Ti–Nb–Zr alloys based on single-crystal elastic constants... CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc solution phase in the ternary Ti–Nb–Zr system. The parameters in the model were evaluated based on the available experimental data and first-principle calculations. The composition-elastic properties of the full compositions were predicted and the results were in good agreement with the experimental data. It is found that the β phase can be divided into two regions which are separated by a critical dynamical stability composition line. The corresponding valence electron number per atom and the polycrystalline Young׳s modulus of the critical compositions are 4.04–4.17 and 30–40GPa respectively. Orientation dependencies of single-crystal Young׳s modulus show strong elastic anisotropy on the Ti-rich side. Alloys compositions with a Young׳s modulus along the <100> direction matching that of bone were found. The current results present an effective strategy for designing low modulus biomedical alloys using computational modeling. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of the Mechanical Behavior of Biomedical Materials Elsevier

Study of low-modulus biomedical β Ti–Nb–Zr alloys based on single-crystal elastic constants modeling

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Publisher
Elsevier
Copyright
Copyright © 2016 Elsevier Ltd
ISSN
1751-6161
eISSN
1878-0180
D.O.I.
10.1016/j.jmbbm.2016.04.040
Publisher site
See Article on Publisher Site

Abstract

CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc solution phase in the ternary Ti–Nb–Zr system. The parameters in the model were evaluated based on the available experimental data and first-principle calculations. The composition-elastic properties of the full compositions were predicted and the results were in good agreement with the experimental data. It is found that the β phase can be divided into two regions which are separated by a critical dynamical stability composition line. The corresponding valence electron number per atom and the polycrystalline Young׳s modulus of the critical compositions are 4.04–4.17 and 30–40GPa respectively. Orientation dependencies of single-crystal Young׳s modulus show strong elastic anisotropy on the Ti-rich side. Alloys compositions with a Young׳s modulus along the <100> direction matching that of bone were found. The current results present an effective strategy for designing low modulus biomedical alloys using computational modeling.

Journal

Journal of the Mechanical Behavior of Biomedical MaterialsElsevier

Published: Sep 1, 2016

References

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