Hyperthermal collision dynamics

In Sec. 3.2, we will discuss the dynamics of hyperthermal collisions involving metal species. Section 3.3 is a review of ion-neutral collision dynamics involving metallic species, and Sec. 3.4 examines what is known of hyperthermal metal atom collisions with atmospheric species. 

One of the most common numerical methods used in molecular dynamics to solve Newton s equations of motions is the Velocity Verlet integrator. This is typically implemented as a second order method, and we find that it can become numerically tmstable dtuing the course of hyperthermal collision events, where the atom velocities are often far from equilibrium. As an alternative, we have implemented a fifth/ sixth order predictor-corrector scheme for our calculations. Specifically, the driver we chose utilizes the Adams-Bashforth predictor method together with the Adams-Moulton corrector method for approximating the solution to the equations of motion. 

---