Ab initio study of structure and electrical conductivity of warm dense oxygen

被引：1

作者：

Fu, Zhijian ^{[1
]}

Jia, Lijun ^{[2
]}

Long, Xiaoxia ^{[1
]}

Xia, Jihong ^{[1
]}

Xiao, Xuyang ^{[1
]}

Li, Yang ^{[1
]}

Zhang, Wei ^{[3
]}

Li, Zhiguo ^{[4
]}

机构：

[1] Chongqing Univ Arts & Sci, Sch Elect & Elect Engn, Chongqing 402160, Peoples R China

[2] Chongqing Univ Arts & Sci Lib, Chongqing 402160, Peoples R China

[3] Southwest Univ Sci & Technol, Sch Sci, Mianyang 610064, Sichuan, Peoples R China

[4] CAEP, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys, POB 919-102, Mianyang 621900, Sichuan, Peoples R China

来源：

PHYSICS OF PLASMAS | 2020年 / 27卷 / 05期

基金：

中国国家自然科学基金;

关键词：

MOLECULAR-DYNAMICS; LIQUID; TRANSITION;

D O I：

10.1063/1.5133667

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

Using quantum molecular dynamics simulations, the equation of state and electrical conductivity of warm dense oxygen is calculated in the density and temperature ranges of 2.0-4.3g/cm(3) and 10(3)-10(5)K, respectively. The simulations show that the dissociation of oxygen molecules at about 2000K and 2.6g/cm(3) reaches 89%, and complex clusters form with increasing temperature and density. The dissociation of oxygen molecules significantly affects the electrical conductivity. The electrical conductivity of warm dense oxygen is greater than 10(5) S/m at pressures above 20GPa and the oxygen is metallic, and then the electrical conductivity weakly dependent on pressure, up to 200GPa. The density of states of liquid oxygen indicates conduction-state electron behavior in the warm dense matter regime.

引用

页数：6

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