PBX炸药颗粒粉压制过程细观力学行为的数值模拟研究

项目名称： PBX炸药颗粒粉压制过程细观力学行为的数值模拟研究

项目编号： No.U1330138

项目类型： 联合基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 唐红

作者单位： 重庆邮电大学

项目金额： 80万元

中文摘要： 高聚物粘结炸药(Polymer Bonded Explosive, PBX)是一种重要的高性能炸药，其结构和性能的关系一直是炸药和材料科学领域重要的研究课题。本申请主要研究PBX压制过程中细观力学行为多尺度数值模拟计算的模型和开发相应的计算机程序。研究思路是，在微观尺度，用分子动力学（MD）模拟方法求解填充物颗粒和聚合物添加剂的各种性质，包括组分的状态方程和粘弹性的本构关系，这些性质作为参数输入到细观尺度的模拟计算；在细观尺度，采用物质点法（MPM）求解物质的力学性质，计算复合材料力学行为随受荷的变化，获得PBX的状态方程式和粘弹性的本构方程；在宏观尺度，基于细观尺度的计算结果应用有限元方法计算PBX的力学性能在各种实验条件下的变化，并与实验结果相比较。本项目研究成果可为研究PBX材料压制过程的力学行为提供一种有效的方法。

中文关键词： 多尺度数值模拟；物质点法；高聚物粘结炸药；静态压缩；力学性能

英文摘要： Polymer bonded explosive (PBX) is a high explosive material and its underlying structure-property relationship has been a hot research topic in this field. In this application, we suggest a multiscale modelling of the mechanical behaviour of PBX materials in pressing process and propose to develop a computer code based on the model. The multiscale modelling starts from microscale and go to macroscale step by step and the calculation results at lower level are used as input information for higher level calculation: Molecular dynamics (MD) simulation is used to solve different mechanical properties of bonded particles and viscoelastic polymer binder at microscale; Materials Point Method (MPM) approach is used at mesoscale to calculate the mechanical property variation of PBX with loading, and to determine the equations of state and the constitutive relations of the bonded material; Finite element method is employed to calculate the mechanical properties of PBX at macroscale and to compare the results with experimentally observations. In this project, we will construct a multiscale simulation platform based on these methods. This will provide a realistic tool for studying the mechanical behaviour of PBX materials in pressing process.

英文关键词： multiscale numerical simulation；Material Point Method；PBX；static compression；mechanical properties