Molecular Dynamics Simulation Of Crack Propagation Of Single Crystal Copper Members Under Bending

The model of monocrystalline copper member was established by LAMMPS software.The molecular dynamics simulation was carried out under bending loading,and the potential energy,stress and initiation load of the system were calculated.The effect of model change was obtained by visualization with OVITO software.The graph of the total potential energy of the system is changed with time.The simulation initial time,through a large number of experiments to determine the reasonable initial relaxation steps,the initial load,load relaxation steps and load variables.Combined with potential energy,stress,center symmetry parameters,the simulation of the configuration changes and the results were analyzed,the corresponding conclusions are obtained.Monocrystalline copper material is mainly applied to integrated circuits,diodes,transistors,semiconductor materials and chips,the monocrystalline copper material crack propagation theory research and analysis,thereby enhancing the quality of single crysta l copper material,stability and service life,which has important theoretical and practical significance.Based on the molecular dynamics,The model of monocrystalline copper member was established by LAMMPS software.The molecular dynamics simulation was carried out under bending loading,and the potential energy,stress and initiation load of the system were calculated.The effect of model change was obtained by visualization with OVITO software.The graph of the total potential energy of the system is c hanged with time.The simulation initial time,through a large number of experiments to determine the reasonable initial relaxation steps,the initial load,load relaxation steps and load variables.Combined with potential energy,stress,center symmetry parameters,the simulation of the configuration changes and the results were analyzed,the corresponding conclusions are obtained.The loading process of single crystal copper member with single crack length is simulated by LAMMPS software.The potential energy,stress and center symmetry parameters in the relaxation process are calculated by numerical calculation method.The analysis of the simulation configuration and the obtained parameters are analyzed.And the crack length of 0.5 ?-6? is changed with the change of crack length,and the difference between the other components is different under different conditions.Crack width of the single crystal copper components of the simulation,to explore the crack width of 0.1 ?-6? when the crack load changes with the crack width.The influence of crack length and width on initiation load and crack propagation was analyzed.