کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9837464 | 1525277 | 2005 | 21 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomic states, potential energies, volumes, stability and brittleness of ordered FCC TiAl2 type alloys
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Atomic states, potential energies, volumes, stability and brittleness of ordered FCC TiAl2 type alloys Atomic states, potential energies, volumes, stability and brittleness of ordered FCC TiAl2 type alloys](/preview/png/9837464.png)
چکیده انگلیسی
In this paper, the framework of the systematic science of alloys (SSA) is presented. It has been proved that according to the basic information of sequences of characteristic crystals in the FCC Ti-Al system, not only the states, potential energies and volumes of atoms at various lattice points, and average atomic states, average atomic potential energies, average atomic volumes and lattice constants of the cells, as well as cohesive energies, heats of formation, bulk moduli and Debye temperatures for h- and γ-TiAl2 compounds can be calculated, but also the compositional variations of the atomic states, atomic potential energies, atomic volumes, lattice constants, cohesive energies, heat of formation, bulk moduli and Debye temperatures of the ordered FCC TiAl2 type alloys and their Ti- and Al-components can be calculated by the SSA framework. The average atomic states of h- and γ-TiAl2 compounds are, respectively, Ï(h-TiAl2)=1/6Ï10,1Ti+1/6Ï10,2Ti+1/2Ï8,4Al+1/6Ï6,6Al and Ï(γ-TiAl2)=1/3Ï10,1Ti+1/3Ï8,6Al+1/3Ï6,6Al.At low temperature, the h-TiAl2 compound with lower potential energy and smaller volume is more stable than the γ-TiAl2 compound, because the Ï10,2Ti and the Ï8,4Al atoms have lower potential energies and smaller volumes than the corresponding Ï10,1Ti and Ï8,6Al atoms. But at high temperature, the γ-TiAl2 compound with larger vibrational entropy and larger mixing entropy due to containing Ï8,6Al- and more the same state Ï10,1Ti-atoms with higher potential energy may be more stable than h-TiAl2 compound. The calculated lattice constants of γ-TiAl2 compounds are in good agreement with experimental ones. The relationships of brittleness with atomic states and potential energy wave planes for FCC TiAl2 compounds have been analysed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 366, Issues 1â4, 1 September 2005, Pages 17-37
Journal: Physica B: Condensed Matter - Volume 366, Issues 1â4, 1 September 2005, Pages 17-37
نویسندگان
Y.Q. Xie, H.J. Tao, H.J. Peng, X.B. Li, X.B. Liu, K. Peng,