کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1810042 1525217 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead–bismuth eutectic alloy
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead–bismuth eutectic alloy
چکیده انگلیسی

Considerable attention has been devoted to liquid lead-bismuth eutectic (LBE) alloy due to its potential application as spallation target and coolant in future sub-critical reactors. Whether there exists an abnormal structural change at high temperatures in this liquid alloy is still under debate. In this paper, we perform ab initio molecular dynamics simulation on the structure and dynamics of liquid LBE at different temperatures from 573 to 1173 K. Through the analysis of the pair correlation function, static structure factor, coordination number, atomic bonded pair, excess entropy, and diffusion constant with increasing temperature, we find that these structure-sensitive quantities change gradually with temperature and exhibit linear temperature dependence. No abnormal structural transformations with temperature variation are observed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 429, 15 November 2013, Pages 6–11
نویسندگان
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