분자 동역학을 이용한 탄소나노튜브-알루미늄 복합재의 기계적 성질 예측

Abstract

This paper investigates the mechanical behavior of carbon nanotube(CNT) reinforced aluminum composites (CNT-Al composites) under a tensile loading condition using molecular dynamics (MD) simulations. A review ofcurrent computational and experimental studies highlights the benefits of CNT-Al composites from a structural point of view. However,quantitative and qualitative investigations on the improvements are still rare. This study shows that, compared to pure aluminum, the Young’s moduli are improved by 31% for (4,4)CNT-Al, 33% for (6,6)CNT-Al,and 39% for (8,8)CNT-Al. Moreover, the toughness is ignificantly enhanced by 37%, 72%, and 100% for (4,4)CNT-Al, (6,6)CNT-Al, and (8,8)CNT-Al, respectively. urthermore, the MD simulations provide insights into various fracture behaviors at the atomistic scale, including lattice disordering, local changes in lattice structures due to stacking faults, and void nucleation/growth. The following component analysis shows that the mechanical properties of CNT-Al composites increase significantly, even with a small amount of CNT addition due to the considerable load bearing capacity of CNT.