کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1561347 | 1513941 | 2013 | 5 صفحه PDF | دانلود رایگان |
First principles calculations have been carried out to investigate the thermodynamic properties and thermal conductivities of L12-TiAl3, L12-Ti(Al Pt)3 and D022-TiAl3. The obtained enthalpy of formation and Debye temperature are in good agreement with the available experiment data and other theoretical results. The thermal conductivities of L12-TiAl3, L12-Ti(Al Pt)3 and D022-TiAl3 were evaluated. The calculated thermal conductivity of D022-TiAl3 possesses the highest value of 1.15 W m−1 K−1 in these TiAl3-type intermetallics in Al–Pt–Ti system.
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► The ΘD of L12-TiAl3, L12-Ti(Pt, Al)3 and D022-TiAl3 are 457.27, 456.12 and 466.10 K.
► D022-TiAl3 has more negative ΔH, larger G and higher Tm than L12-TiAl3.
► D022-TiAl3 has the value of 1.15 W m−1 K−1 in thermal conductivity.
Journal: Computational Materials Science - Volume 68, February 2013, Pages 229–233