کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1406024 | 1501771 | 2013 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural and mechanical properties of actinide pnictides
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this article, we have investigated the pressure induced NaCl (B1) to CsCl (B2) phase transition of actinide pnictides (XBi) (AmBi and CfBi). A modified interaction potential model (MIPM) (including the covalency effect) has been used. Phase transition pressures are associated with a sudden collapse in volume showing the occurrence of first order phase transition. The phase transition pressures and associated volume collapses obtained from present potential model show a generally better agreement with available experimental data than others. The elastic constants and bulk modulus are also reported. Furthermore, we have estimated the Debye temperature, Poisson ratio (Ï), and elastic anisotropy (A) of XBi. Our results are in general in good concord with experimental and theoretical data where available, and supply predictions where they are not available. The study of universal equation of state has also been predicted.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1043, 5 July 2013, Pages 85-90
Journal: Journal of Molecular Structure - Volume 1043, 5 July 2013, Pages 85-90
نویسندگان
Purvee Bhardwaj, Madhu Sarwan, Ritu Dubey, Sadhna Singh,