کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8083597 | 1521699 | 2017 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Transport properties of warm and hot dense iron from orbital free and corrected Yukawa potential molecular dynamics
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی هسته ای و مهندسی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Transport properties of warm and hot dense iron from orbital free and corrected Yukawa potential molecular dynamics Transport properties of warm and hot dense iron from orbital free and corrected Yukawa potential molecular dynamics](/preview/png/8083597.png)
چکیده انگلیسی
The equation of states, diffusions, and viscosities of strongly coupled Fe at 80 and 240Â eV with densities from 1.6 to 40Â g/cm3 are studied by orbital-free molecular dynamics, classical molecular dynamics with a corrected Yukawa potential and compared with the results from average atom model. A new local pseudopotential is generated for orbital free calculations. For low densities, the Yukawa model captures the correct ionic interaction behavior around the first peak of the radial distribution function (RDF), thus it gives correct RDFs and transport coefficients. For higher densities, the scaled transformation of the Yukawa potential or adding a short range repulsion part to the Yukawa potential can give correct RDFs and transport coefficients. The corrected potentials are further validated by the force matching method.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Matter and Radiation at Extremes - Volume 2, Issue 6, November 2017, Pages 287-295
Journal: Matter and Radiation at Extremes - Volume 2, Issue 6, November 2017, Pages 287-295
نویسندگان
H.Y. Sun, Dongdong Kang, Yong Hou, J.Y. Dai,