Abstract

Molecular dynamics (MD) simulation has been attractive in order to gain deeper understanding of microscopic material behavior and have been applied to study various materials properties and phenomena. Most of the MD material removal process simulations were focusing on the material removal mechanisms, chip and surface generation. The state-of-the-art in MD grinding, scratching, cutting or indentation simulation did not consider fluids or an atmosphere (neither gas nor liquid). Hence, the environment represents high vacuum with no heat convection. In this contribution we will describe an extension of the state-of-the-art MD material removal process modeling to consider fluids like coolants and elaborate on its impact on the surface generation and the tribological contact conditions on basis of MD simulation results.

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