Constant-energy dissipative particle dynamics method and its application to simulate mechanical deformation in energetic material crystals


A suite of computational tools is described for particle-based mesoscale simulations of the non-equilibrium dynamics of energetic material crystals, including mechanical deformation, phase transitions, and chemical reactivity... [ view full abstract ]


  1. Martin Lisal (Laboratory of Chemistry and Physics of Aerosols, Institute of Chemical Process Fundamentals of the CAS, v. v. i., Prague; Department of Physics, Faculty of Science, J. E. Purkinje University, Ústí n. Lab.)

Topic Area

Advances in molecular simulation


AMS-2 » Parallel Session - Advances in Molecular Simulation (10:30 - Thursday, 7th September, Pentland Suite)

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