ISIJ International
Online ISSN : 1347-5460
Print ISSN : 0915-1559
ISSN-L : 0915-1559
Fundamentals of High Temperature Processes
Molecular Dynamics Simulation of Carbon Effect on the Thermal Physical Properties of the Molten Iron
Hong-jie YanLiu LiuJia-cai ZhuangPing ZhouChen Qian Zhou
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2019 Volume 59 Issue 2 Pages 221-226


In this paper, the effect of the carbon on the thermal physical parameters of the molten iron at 1500 K–2500 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.

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© 2019 by The Iron and Steel Institute of Japan
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