Phase stability of Ti3SiC2 at elevated temperatures
作者： Z Sun , J Zhou , D Music , R Ahuja , JM Schneider
DOI: 10.1016/J.SCRIPTAMAT.2005.08.039
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摘要: Abstract Ti 3 SiC 2 demonstrates flow stress anomaly at approximately 1173 K [Sun Z, Zhou Y, J. Philos Mag Lett 2000;80:289], which cannot be understood using the Kear–Wilsdorf theory. Here we show by ab initio total energy calculations and molecular dynamics simulations that in may based on phase transformation from α- to β-Ti about 1000 K. These results are of importance for understanding behavior elevated temperatures.
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