Influence of void defect on the thermal transport properties of α-RDX: Insights from molecular dynamics simulations

Key Points

• Void defects significantly influence the thermal transport properties of α-RDX, leading to better understanding of material behavior.
• Analysis showed that the presence of void defects can enhance or diminish thermal conductivity in α-RDX under specific conditions.
• Molecular dynamics simulations were employed to study thermal transport, providing comprehensive insights into defect behaviors.
• Findings underscore the importance of considering void defects in optimizing thermal management applications of α-RDX.