Molecular Dynamics Simulation Of Bimetal Rolling

In recent years, bi-metal complex layer of material with its excellent performance, took people pay more and more attention to it. Many scholars carried out research and analysis on the macro to different metal complex rolling. In the paper, this is a method of using molecular dynamics from the atomic and molecular level, of the micro-mechanical behavior of materials, rolling a preliminary research and analysis to help deeper understanding of the actual engineering problems, and has certain significance for the practice.This article mainly used the embedded atom potential function and application of molecular dynamics simulations at the condition of single-crystal copper thin plate rolling process under room temperature. This article selected embedded atom potential function, deduced formula of applied force between atoms and plotted curvilinear figure of potential and force between two atoms of single crystal copper. Analysis of simulation results when using different initial conditions and different dynamic equations integral format, then using the appropriate initial conditions and integral format to build the model. The relaxation of different roughness models obtained the potential energy changes of each model at relaxation phase. From the perspective of atomic stress, analysis of surface effect, and find that the surface effect of a single crystal copper involves two layers of atoms and for the third atomic layer atoms less affected. After relaxation specimen show such stress state, which surface is tension and its internal is compression. And because of the roughness of the different models, making the grass-roots contact with the cladding different atoms and eventually get the models of the atomic configuration after relaxation map is also different. This article simulates the whole process rolling of the single-crystal copper thin. The atoms distribution maps is given for each models under the different rolling force, and got the rolling force value of each model. Analyzed the whole process of plate rolling of different models, when the rolling force is large enough, nano-single crystal copper sheet conformation change, primary and cladding of the surface atoms gradually approached, and eventually reach the grassroots and the cladding layers bonded together.