Oxygen diffusion in α-Zr single crystals

Oxygen diffusion in hcp metals from first principles

“…Oxygen content in particular need to be carefully controlled to balance the increase in hardness with decrease in ductility 4 . While many studies have experimentally measured [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] or computationally predicted [21][22][23][24] the diffusion of oxygen through various metal alloy systems, there is a lack of a fundamental atomistic understanding of how oxygen diffuses through many basic metal systems in a systematic manner.…”

Theoretical considerations about solid-state diffusion of impurities into crystals

“…However, if it is for the present state assumed that it is valid to use Eq. (6), then the boundary conditions, necessary for a solution, are specified by the experimental conditions under which the diffusion is carried out [21][22][23][24][25].…”

Effect of oxidation and nitriding on the properties of zirconium alloys

“…Statistical processing of data on the diffusive mobility of oxygen atoms in zirconium was held in [17]. In paper [17], a dependence of the diffusion coefficient of oxygen in α-Zr on temperature was proposed.…”

“…In particular, it was established that zirconium nitride is formed only in the absence of oxygen in the gas phase and, at the same time, at existence of oxygen in the metal phase [25]. Using the chart р О2 /р N2 , which is presented in [17], it is possible to determine the bounds of stability of Zr, ZrO 2 , and ZrN existence depending on temperature.…”

“…In paper [17], a dependence of the diffusion coefficient of oxygen in α-Zr on temperature was proposed. The authors also noted that in the temperature range of T=250…600 °C, the process of oxygen diffusion is controlled by the migration of oxygen atoms in basic planes.…”