''Hot Spots'': Subnanometer Femtosecond Energy Localization

摘要

In a condensed energetic material, an understanding of the dynamics and microscopic mechanisms underlying energy transfer between a shock front and various defects is of prime importance for a realistic description of ''hot spot'' formation and explosives initiation. A wide variety of simulations using the well-established technique of computer molecular dynamics has enabled us to obtain a general and very useful microscopic description of the processes beneath the macroscopic behavior of shocked systems. The calculation of the influence of heterogeneities such as point and line defects, voids, and grain boundaries is made possible by computer codes that can handle totally heterogeneous dynamical systems and track the dynamics of energy concentration and partitioning among the molecular bonds in the defect and the nearby region. One and two-dimensional calculations will be discussed in which the spatial and temporal dependence of the energy flux in a general lattice-defect system is calculated quantitatively as a function of shock strength, initial temperature, and initial parameters defining the lattice and defect. (ERA citation 12:046780)