Table 1.
One iteration of the computer implementation of MD model [A].
[A1] | Compute ‘free-flight positions’ of heat bath particles and the large particle at time t+Δt by |
and . | |
[A2] | Compute post-collision velocities by (2.5) for every pair of particles which collided. Compute their post-collision positions xi(t+Δt) and X(t+Δt) by updating their ‘free-flight positions’ and . |
[A3] | Terminate trajectories of heat bath particles which left the domain [−L,L]. Update n accordingly. |
[A4] | Generate a random number r1 uniformly distributed in (0,1). |
If r1<γ(μ+1)Δt/8, then increase n by 1, and introduce a new heat bath particle at a position sampled according to the probability distribution proportional to ϱ(x;Δt,−L). Its velocity is sampled according to the probability distribution proportional to H(−L−x+vΔt) fμ(v). | |
[A5] | Generate a random number r2 uniformly distributed in (0,1). |
If r2<γ(μ+1)Δt/8, then increase n by 1, and introduce a new heat bath particle at position xn(t+Δt) with velocity vn(t+Δt) which are sampled according to probability distributions (2.11) and (2.12). | |
[A6] | Continue with step [A1] using time t=t+Δt. |