کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1600349 1515880 2012 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Phase transformation and crystal structure of IrTi
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Phase transformation and crystal structure of IrTi
چکیده انگلیسی

Composition and temperature dependence of the crystal structure of IrTi with Ti content of 46–61 at.% was investigated using high-temperature X-ray diffraction analysis. Single-point energy calculations and geometry optimization were carried out based on first-principles calculations to understand the phase stability and transformation. Using X-ray diffraction analyses, a CsCl-type B2 structure was found in Ir-61 at.% Ti at room temperature; on the other hand, an orthorhombic structure in the alloys with Ti content below 58 at.%. The atomic positions obtained through first-principles calculations suggested a distorted L10 structure refined as a new orthorhombic (Cmmm #65) structure. The orthorhombic structure changed to almost a tetragonal structure with rising temperature and finally to a distorted B2 structure above 873 K in Ir-46–58Ti alloys.


► Composition and temperature dependence of the structure of IrTi was investigated.
► The new orthorhombic structure was found in the alloys with below 58 at.% Ti.
► A distorted L10 structure is refined as a new orthorhombic structure with Cmmm #65.
► The orthorhombic structure changed to a distorted B2 structure above 873 K.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 31, December 2012, Pages 26–33
نویسندگان
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