کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1502225 993411 2008 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study of Co3(Al,W) alloys using special quasi-random structures
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
First-principles study of Co3(Al,W) alloys using special quasi-random structures
چکیده انگلیسی

We have developed 32-atom special quasi-random structures (SQSs) to model the substitutionally random pseudo-binary A3(B0.5C0.5) alloys in L12, D019, and D03 crystal structures, respectively. First-principles SQS calculations are performed to examine the phase stability of the recently identified L12–Co3Al0.5W0.5 compound in the Co–Al–W ternary system. By computing total energy as a function of applied strain, the single-crystal elastic constants of L12–Co3Al0.5W0.5 are also predicted and our results show excellent agreement with recent experimental measurements.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Scripta Materialia - Volume 59, Issue 10, November 2008, Pages 1075–1078
نویسندگان
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