Article ID Journal Published Year Pages File Type
7956096 Calphad 2012 7 Pages PDF
Abstract
▸ First principles phase diagram calculation for the suboxide system Ti[]1−XOX; 0≲X≲1/2. ▸ The prediction of Devil's staircase order-disorder behavior in Ti6O and Ti3O. ▸ The prediction of a Ti2O ground-state that is not CdI2-related. ▸ The prediction that no CdI2-related phase is stable at elevated temperature.
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Physical Sciences and Engineering Materials Science Materials Science (General)
Preview
First principles phase diagram calculations for the octahedral-interstitial system αTiOX, 0≤X≤1/2
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