FY04-Q4 REPORT: LX-17 MODELING

[摘要] TATB containing explosives tend to permanently expand as their temperatures are increased or thermally cycled, a phenomenon known as ''ratchet-growth.'' Mesoscale simulations using dissipative particle dynamics (DPD) have been carried out in order to study the geometric packing effects of TATB pressed powders under stress conditions. Further, our mesoscale simulations of polycrystalline TATB pressed powders have been used to predict hot-spot changes as a function of temperature (thermal cycling) and confinement. Our DPD simulations showed irreversible permanent growth in the mesoscale pressed powders only when crystal fracture induced by the anisotropic thermal expansion of TATB was incorporated into the model.

[发布日期] 2004-11-30 [发布机构] Lawrence Livermore National Laboratory

[关键词] Fractures;37 Inorganic, Organic, Physical And Analytical Chemistry;Thermal Expansion;Simulation;Confinement