Temporal scale-bridging of chemistry in a multiscale model: Application to reactivity of an energetic material

• Published in: Journal of computational physics Vol. 472; p. 111682
• Main Authors: Leiter, Kenneth W., Larentzos, James P., Barnes, Brian C., Brennan, John K., Becker, Richard, Knap, Jaroslaw
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 01.01.2023
• Subjects: Coarse-graining; Energetic materials; Multiscale modeling; RDX; Scale-bridging; STEX; Scale-bridging; STEX; Coarse-graining; Multiscale modeling; Energetic materials; RDX

A heterogeneous multiscale method (HMM) to evolve chemistry across disparate temporal scales is presented. The method directly couples a particle-based, microscale coarse-grain chemistry model to a macroscale continuum finite element model of deformation. The macroscale model obtains both the materi...