Effect of water concentration on the shock response of polyethylene glycol diacrylate (PEGDA) hydrogels: A molecular dynamics study

摘要

Shockwave propagation in polyethylene glycol diacrylate (PEGDA) hydrogels is simulated for the first time using nonequilibrium molecular dynamics simulations. PEGDA hydrogel models are built using the "perfect network" approach such that each crosslink junction is comprised of six chain connections. The influence of PEGDA concentration (20-70 wt%) on shock behavior is investigated for a range of particle velocities (200-1000 m/s). In agreement with reported experimental results in the literature on gels with similar densities, shock velocity and pressure in PEGDA hydrogels are found to increase with polymer concentration, within a range bounded by pure water and pure polymer behaviors. Nonlinear relationships are observed for shock pressure and shock front thickness as a function of concentration, and a logarithmic equation is proposed to describe this behavior. In addition, the relationship between pressure and shock front thickness is compared with hydrodynamic theory. Deviation from hydrodynamic predictions is observed at high particle velocities and this deviation is found to be related to viscosity changes. A power-law relationship between strain rate and pressure in PEGDA hydrogels is identified, similar to that of metals. However, a power-law exponent of 1.4 is computed for all gel concentrations, whereas an exponent of 4 is typically reported for metals.