Molecular dynamics study on friction of the iron-aluminum alloy

Iron-aluminum alloy has been widely used in aerospace, nuclear power, electronics and other fields. Taking into account the limitations of the continuum mechanics model at the microscopic scale, it is critical to use nanoscale simulation methods like molecular dynamics (MD) to have a deeper understanding of the friction and wear behavior. Through MD simulation, this thesis mainly studied the friction and wear process of iron aluminum alloy under different conditions. The main conclusions are as follows: (1) The frictional force first experiences a period of growth, and then stabilizes with some fluctuations due to the release of stress-energy caused by deformation. (2) Temperature and friction speed has no significant effect on friction force. (3) The higher the friction speed is, the more wear debris it produces, and the more severely the material is damaged. (4) The force and coefficient of friction will increase with the rise of aluminum content, and the plastic deformation of the alloy is strengthened, while the elastic deformation decreases. (5) The frictional force increases with the wear depth since the accumulation phenomenon of atoms becomes more obvious.