Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4994526 | International Journal of Heat and Mass Transfer | 2017 | 6 Pages |
Abstract
Physical properties of molten iron at 1500-2500Â K, which are poorly understood at high temperature and in undercool state, are calculated based on the molecular dynamics method in this paper. The model of molten iron is developed by LAMMPS. The embedded atom method potential is applied to calculate the interaction between iron atoms. The system is heated to 2500Â K, then cooled to the target temperature to obtain the molten iron. Different physical properties of molten iron between 1500Â K and 2500Â K, including the density, the viscosity, the specific heat capacity and the self-diffusion coefficient, are calculated using the proposed model. The accuracy of the method is validated by comparing the numerical results with the available data in the literature. It is found that almost all the physical properties of molten iron at 1500-2500Â K can be accurately calculated with the molecular dynamics method. However, owing to the fact that the specific heat of liquid metal is sensitive to the potential function, the numerical deviation of the specific heat is larger.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Fluid Flow and Transfer Processes
Authors
Hong-Jie Yan, Jia-Cai Zhuang, Ping Zhou, Qing Li, Chenn Q. Zhou, Pei Fu,