On-the-fly clustering for exascale molecular dynamics simulations.

In extreme conditions, we aim to understand how the physical properties of matter are altered under shock conditions. This includes examining the equation of state, which describes pressure as a function of density, and investigating phase transition mechanisms, such as transitions between solid, liquid, and plasma states. We also analyze how shocks can induce damage and how the constitutive behavior of solid materials is affected.

Extreme conditions involve very high pressure applied over a very short time scale or at a very high loading rate. To achieve these conditions, we utilize various loading devices. For instance, we employ diamond anvil cells for generating super high pressures in the hundreds of gigapascals, albeit at relatively low loading rates. For higher loading rates, we utilize gun techniques.