Influence of nitrogen interstitials in α-titanium and nitrogen vacancies in δ-titanium nitride on lattice parameters and bulk modulus - computational study

Lebeda, M.; Vlcak, Petr; Drahokoupil, Jan

doi:10.1016/j.commatsci.2022.111509

Cited by 5 publications

(2 citation statements)

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“…When only oxygen occupies the interstices of the α-Ti lattice, these values correspond to a concentration of 20% atomic oxygen. This behavior echoes literature findings emphasizing the significant expansion of the c-axis due to the incorporation of interstitial atoms, while the a-axis remains comparatively stable 38,39 . It is noteworthy that the 18 18 Ti H − sample reached the aforementioned maximum values, consistent with a concentration of 20% atomic oxygen when solely oxygen is present in the α-Ti lattice interstices 1 .…”

Section: Gixrd Characterizationsupporting

confidence: 89%

Titanium Oxynitriding by Plasma-Assisted Thermochemical Treatments Using a Competitive Atmosphere of H2-N2-O2

Vitoriano,

Pessoa,

Mendes Filho

et al. 2023

Mat. Res.

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The incorporation of oxygen and/or nitrogen into the titanium lattice has garnered significant attention due to the broad spectrum of intermediate properties that can be achieved between TiN and TiO 2 . This article delves into the investigation of surface modification of titanium through plasma-assisted thermochemical treatments employing H 2 -N 2 -O 2 mixtures. The flow rate of the reducing gas (H 2 ) remained constant at 24 sccm, while the flow rates of N 2 and O 2 were adjusted to yield a total flow rate of 60 sccm. Analysis using GIXRD, Raman spectroscopy, and XPS demonstrated that TiN exhibits stability exclusively in an oxygen-free atmosphere, while TiO 2 , in contrast, necessitates an oxygen flux equal to or exceeding 18 sccm for stability. Furthermore, it was found that the presence of nitrogen in the plasma atmosphere resulted in a greater expansion of the α-titanium lattice, although the solubility of interstitials decreased. These findings highlight the potential for a controlled approach to producing solid solutions or titanium oxynitrides.

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