Contributed Talk

Mesoscale models for fluids and solids in LAMMPS

Joel T. Clemmer
Sandia National Laboratories
Thomas C. O'Connor
Sandia National Laboratories
Dan S. Bolintineanu
Sandia National Laboratories
Jeremy B. Lechman
Sandia National Laboratories
  • Thursday, 12 Aug 2021
  • 13:30 - 13:45 EDT
Download Slides

Although LAMMPS is primarily used for molecular dynamics, it provides a general platform for simulations of particle dynamics and already has packages for methods such as smoothed particles hydrodynamics and peridynamics. In this talk, we will provide a high-level discussion of newly developed packages for modeling fluid, solid, and multiphase systems on length scales above the atomistic/molecular limit. We will start with an overview of bonded particle models used to simulate solid elasticity and fracture and some applications in fragmentation and granular compaction. Next we will describe a new particle-based fluids method which is designed around the use of reproducing kernels - a locally constructed kernel which enables convergent solutions to the Navier Stokes equations. Finally, work on hybridizing these two methods will be presented along with demonstrations of various multiphase applications such as oxidizing metals and solid/fluid phase transitions.