Title of article
Thermal conductivity calculation of magnetite using molecular dynamics simulation
Author/Authors
Jedari Ghourichaei, Masoud Faculty of Mechanical Engineering - Sahand University of Technology, Tabriz, Iran , Goharkhah, Mohammad Faculty of Mechanical Engineering - Sahand University of Technology, Tabriz, Iran , Razmara, Naiyer Department of Mechanical Engineering - Azarbaijan Shahid Madani University, Tabriz, Iran
Pages
10
From page
45
To page
54
Abstract
In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have been validated by experimental data. Results show that the thermal conductivity of magnetite can be predicted appropriately using Buckingham potential function. Moreover, Thermal conductivity of magnetite is shown to be a decreasing function of temperature. The obtained results provide a benchmark for magnetite ferrofluid heat transfer simulations, which has been extensively increased in recent years.
Keywords
Molecular Dynamics , Thermal Conductivity , Magnetite , rNEMD
Serial Year
2020
Record number
2492453
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