Molecular Dynamics Simulation of Carbon Effect on the Thermal Physical Properties of the Molten Iron

被引：8

作者：

Yan, Hong-jie ^{[1
]}

Liu, Liu ^{[1
]}

Zhuang, Jia-cai ^{[1
]}

Zhou, Ping ^{[1
]}

Zhou, Chen Qian ^{[1
,2
]}

机构：

[1] Cent S Univ, Sch Energy Sci & Engn, Changsha 410083, Hunan, Peoples R China

[2] Purdue Univ Northwest, Cent Innovat Visualizat & Simulat, 2200 169th St, Hammond, IN 46323 USA

来源：

ISIJ INTERNATIONAL | 2019年 / 59卷 / 02期

基金：

中国国家自然科学基金;

关键词：

molecular dynamics; molten iron; carbon; thermal physical properties; hybrid inter-atomic potentials; IRREVERSIBLE-PROCESSES; DENSITY;

D O I：

10.2355/isijinternational.ISIJINT-2018-513

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

In this paper, the effect of the carbon on the thermal physical parameters of the molten iron at 1 500 K-2 500 K is studied using a molecular dynamics method based on the hybrid inter-atomic potentials. Results show that density of molten iron decreases linearly in accordance with the carbon or temperature rise, and such correlation is derived using a least square method. The viscosity of molten iron is also indicated to decrease with the temperature increase. In addition, the self-diffusion coefficient of molten iron is reducing with the carbon content rise. While the overall phonon thermal conductivity decreases along with the carbon content increase, the process appears to be fluctuating significantly.

引用

页码：221 / 226

页数：6

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