کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9837609 | 1525281 | 2005 | 17 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomic states, potential energies, volumes, stability and brittleness of ordered FCC Ti3Al-type alloys
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
According to the basic information of sequences of characteristic atoms in the FCC Ti-Al system, the compositional variations of the atomic states, atomic potential energies, atomic volumes, lattice constants and cohesive energies of the ordered FCC Ti3Al-type alloys have been calculated. Without considering the influence of the second nearest neighbouring atoms, the D022- and L12-Ti3Al compounds have the same atomic state, same atomic volume, same lattice constant and same cohesive energy. Their average atomic state is 0.75[Ar](3dn)0.229(3dc)2.5669(4sc)0.5448(4sf)0.6593 +0.25[Ne](3sc)1.772(3pc)1.008(3sf)0.22. Considering the influence of second neighbouring atoms, the calculated atomic potential energies, formation energies and lattice constants of the D022- and L12-Ti3Al compounds are, respectively, εa=-4.8158eV/atom, ÎH=â0.3378 eV/atom, a=0.39131 nm, c=0.44108 nm, c/a=1.1272; and εa=â4.7952 eV/atom, ÎH=â0.3172 eV/atom, a=0.41091 nm. The D022-Ti3Al compound is slightly more stable than the L12- Ti3Al compound. The correctness of these results has been proved indirectly by the calculated results of the D022- and L12-TiAl3 as well as HfGa2- and ZrGa2-type TiAl2 compounds with the same basic information and the same method. Between 0 and 40 at.%Al, the HCP lattice is more stable than the FCC lattice, for which the atomic state factor may play determining action. The brittleness order of these compounds is L12-Ti3Al
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 362, Issues 1â4, 15 May 2005, Pages 1-17
Journal: Physica B: Condensed Matter - Volume 362, Issues 1â4, 15 May 2005, Pages 1-17
نویسندگان
Y.Q. Xie, H.J. Peng, X.B. Liu, K. Peng,