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. 2014 Jul 8;470(2167):20140036. doi: 10.1098/rspa.2014.0036

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 tt by
x^i(t+Δt)=xi(t)+vi(t)Δt and X^(t+Δt)=X(t)+V(t)Δt.
[A2] Compute post-collision velocities by (2.5) for every pair of particles which collided. Compute their post-collision positions xi(tt) and X(tt) by updating their ‘free-flight positions’ x^i(t+Δt) and X^(t+Δt).
[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(xt,−L). Its velocity is sampled according to the probability distribution proportional to H(−Lx+vΔtfμ(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(tt) with velocity vn(tt) which are sampled according to probability distributions (2.11) and (2.12).
[A6] Continue with step [A1] using time t=tt.