Study on the Deformation Characteristics of Grain Boundary in Nanolithography Process

분자동력학을 이용한 나노 리소그래피 공정의 결정립계의 변형 거동 연구

Large-scale molecular dynamics simulations are performed to verify the deformation characteristics of grain boundaries in nanolithography process. The copper substrate made of 200,000 atoms is constructed by two grains in different crystal orientations using dynamic relaxation method. The grain boundary is located in the middle of the substrate with $45\sim135$ degree angles. The plowing tip is made of diamond-like-carbon atoms in a variety of shapes. In the simulations, the generation, propagation, and accumulation of dislocations are observed inside the substrate. From the numerical results, we address the dynamic behavior of the grain boundaries as well as the frictional characteristics in terms of the morphology of initial grain boundaries.