Atomistic Simulation Of Edge Dislocation In BCC Iron Under The Serial Interaction Of Cu Precipitates And Voids

This paper first introduces some dislocation theory and concepts,and introduces the molecular dynamics simulation method used,as well as the basic knowledge,and then build the model,simulation of the copper precipitates and voids in serial interference motion edge dislocation characteristics,and analyzed the influence and the hole diameter and the spacing distance on the interference effects.By using the molecular dynamics method(MD),according to the Osetsky model,along the[111]direction into a layer of semi atomic surface formation of dislocation,and then in the model are respectively inserted into the copper precipitates and voids,applying a load on the model,the edge dislocation passes through the hole and copper deposits,the conjugate gradient method(Conjugate Gradient)for relaxation,were simulated in the empty and copper precipitates with different diameter and spacing of the edge dislocation motion,and the analysis of the mechanical properties of edge dislocation in copper precipitates and voids under serial interference.