Computer simulation crystal cell biocompatible Ti, Ti-30Zr and TiN aqueous medium


Authors

DOI:

https://doi.org/10.22517/23447214.17861

Keywords:

Hydrophobic, computational simulation, biomateria

Abstract

Zirconium (Ti - 30Zr) with HCP and FCC ceramic nitride (TiN) titanium in order to meet its biocompatibility from the electronic point of view crystal cells for metallic materials titanium (Ti), titanium alloy were simulated. distribution simulations electrostatic charge, charge density and electrostatic potential of these molecules is performed in a water environment using Density Functional Theory (DFT). From these simulations structural stability is observed in the amount of charges mulliquen zero, besides the hydrophobic tendency of these crystallographic networks condition the material for interaction with human tissue proteins was demonstrated, which makes optimal as biomaterial.

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Published

2018-09-30

How to Cite

Ruden, A. (2018). Computer simulation crystal cell biocompatible Ti, Ti-30Zr and TiN aqueous medium. Scientia Et Technica, 23(3), 421–426. https://doi.org/10.22517/23447214.17861

Issue

Vol. 23 No. 3 (2018)

Section

Bioingeniería

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