Interaction between HMX and different sized Al

摘要：

It exhibited dissimilar properties with different sized aluminum in solid propellant. To predict the interaction different sized Al and high energy solid propellant ingredients, the binding energy between HMX and different shape Al was calculated by molecular dynamics (MD, MS Forcite Plus 5.0) simulation under the condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS) force field. The results showed that the binding energy of layer model was smaller than that of sphere model and the binding energy increased with increasing temperature. It indicated that the interface of HMX/A1 was smaller, the interaction was weaker. And the interaction between HMX and NA was stronger than that of HMX and conventional sized aluminum.

作者: Wei Li Ai ming Pang Xiang Guo

作者单位: The 42nd Institute of the Fourth Academy of China Aerospace Science and Technology Corporation, Xiangfan, Hubei, 441003, China

会议类型: 国际会议

会议名称: The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)

会议地点: 武汉

会议语种:英文

页码: 491-498

在线出版日期: 2010-09-01（万方平台首次上网日期，不代表论文的发表时间）