کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10714415 | 1025587 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Phase transition and thermodynamic properties of Sr under high pressure
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Phase transition and thermodynamic properties of Sr under high pressure Phase transition and thermodynamic properties of Sr under high pressure](/preview/png/10714415.png)
چکیده انگلیسی
We have performed the first-principles and classical molecular dynamics simulations to investigate the phase diagram and thermodynamic properties of Sr under high pressure and temperature. The obtained solid phase diagram of Sr, based on the quasi-harmonic approximation (QHA), is greatly supported by the available experimental data under low pressure. From the coexistence-phase molecular dynamics simulations, we also obtained the high-pressure melting curve of Sr which shows good agreement with the experiment. While, the experimentally observed β-Sn structure of Sr-III was found to be mechanically unstable according to our phonon dispersion calculations and evolutionary algorithm structure searches. We find that α-U phase (space group Cmcm) is energetically favorable and is the good candidate of Sr-III.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 23, 1 December 2011, Pages 4518-4522
Journal: Physica B: Condensed Matter - Volume 406, Issue 23, 1 December 2011, Pages 4518-4522
نویسندگان
Zhong-Li Liu, Xiao-Feng Li, Xiu-Lu Zhang, Ling-Cang Cai, Fu-Qian Jing,