Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies

被引：2

作者：

Plechystyy, V. ^{[1
,2
]}

Shtablavyi, I. ^{[2
]}

Winczewski, S. ^{[1
]}

Rybacki, K. ^{[1
]}

Mudry, S. ^{[2
]}

Rybicki, J. ^{[1
,3
]}

机构：

[1] Gdansk Univ Technol, Fac Appl Phys & Math, Gdansk, Poland

[2] Ivan Franko Natl Univ Lviv, Dept Met Phys, Kyrylo & Mephodiy 8, UA-79005 Lvov, Ukraine

[3] Gdansk Univ Technol, TASK Comp Ctr, Gdansk, Poland

来源：

PHILOSOPHICAL MAGAZINE | 2020年 / 100卷 / 17期

关键词：

Liquid metals; liquid bismuth; viscosity coefficient; self-diffusion coefficient; free volume theory; MOLECULAR-DYNAMICS SIMULATION; THERMAL-EXPANSION; COLLECTIVE EXCITATIONS; SN-BI; METALS; LEAD; VISCOSITY; SEMIMETALS; MECHANISM; DIFFUSION;

D O I：

10.1080/14786435.2020.1756500

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575-1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity and the self-diffusion coefficient were calculated to be in the ranges from 1.17 to 0.86 mPa s and from 2.18 x 10(-9) to 5.44 x 10(-9) m(2)/s, respectively. The free volume - extracted results are in fair agreement with the experimental data and with the results obtained in the molecular dynamics simulations.

引用

页码：2165 / 2182

页数：18

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