In this thesis, friction and wear behaviors between copper and carbon on the atomic scale are numerically simulated by using molecular dynamics. It is assumed that all interatomic forces are given by Morse potential, carbon is rigid and copper is scratched by carbon under vacuum condition. Average friction and normal forces for various scratch speeds and scratch depths are calculated. Average friction coefficient, defined as the ratio of average friction force to average normal force, is higher than that of the reported results. Also, changes of wear behavior for various scratch speeds are found by observing snapshots after scratch process. For large scratch depth, we observe both surface wear and deformation. As increasing the scratch speed, surface wear becomes dominent. It is found that the scratch depth that normal force is zero exists. In this case, friction coefficient is infinite. As increasing the scratch depth, friction force increases and over 0.5nm of scratch depth, normal force is constant. The effect of boundary conditons is tested. The effect of the state of surface atoms at the instant of contact for friction and wear behavior on the atomic scale is as large as that of the scratch conditions such as scratch speed, scratch depth.
