Molecular dynamics simulations of irradiation on microstructural and mechanical properties of 1,3,5-trinitro-1,3,5-triazacyclohexane

• Published in: Computational and theoretical chemistry Vol. 1248; p. 115219
• Main Authors: Yun, Xiyao, Wang, Tao, Li, Weiyi, Wang, Jintao, Guo, Wanxiao
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.2025
• Subjects: 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX); Irradiation damage; Mechanical property; Microstructure; Molecular dynamics; Molecular dynamics; Microstructure; Irradiation damage; 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX); Mechanical property

Energetic materials are utilized in diverse conditions, including environments subject to neutron irradiation. Understanding the effects of irradiation on the microstructures and mechanical properties of energetic materials is crucial for their application in radiation-exposed settings. In this rese...