Investigating the effect of external heat flux on the crack growth process in an aluminum nanoplate using molecular dynamics simulation

Abstract

The effect of heat flux (HF) is crucial for understanding the behavior of materials, particularly in terms of crack propagation. HF can induce thermal stresses that accelerate crack growth, which can compromise the structural integrity and safety of materials. However, by studying the effect of HF, we can gain insights into the mechanisms that lead to crack initiation and growth. The importance of this study lies in its contribution to understanding the impact of external HF (EHF) on the cracking behavior of Aluminum nanoplates. For this purpose, EHF with 0.01, 0.02, 0.03, 0.05, and 0.1 W/m2 are added to the initial structure. By inserting EHF into the modeled samples, the atomic evolution of them is investigated. This study was performed using LAMMPS software and molecular dynamics (MD) simulation. Numerically, the maximum velocity of atoms increased from 4.81187 Å/ps to 4.81236 Å/ps as the EHF rose from 0.01 W/m2 to 0.1 W/m2. The maximum stress of samples increases from 151.689 GPa to 151.712 GPa by the EHF ratio enlarging. Finally, the crack length reaches to the maximum value (33.492 Å) by the EHF ratio set to 0.03 W/m2.By investigating the atomic evolution and crack growth process under different EHF values, the study provides valuable insights into the underlying mechanisms and thermal effects that influence crack propagation in these materials. This knowledge can be utilized to optimize the design and performance of aluminum nanoplates in practical applications, such as in the development of more robust and reliable structural components or devices.