Simulations kinetic energy distribution

Fifjure 6. Angular and kinetic energy distribution of the outgoing hydrogen atoms. Graphs a) and c) corresponds to the H + I exit channel, while b) and d) ndth the H + I channel. In the case a) and b) the dopant is placed in the second shell, while in the case c) and d) the dopant is on the surface, c) Simulation of the phorodissociation of the dopant on the surface (histogram) compared with a pick-up photodissociation experiment (line with error bars), f) Simulation of the photodissociation of the dopant in the sub-surface shell (histogram) compared with a pick-up photodissociation experiment (lino with error bars). 

Simulations—isoergic and isothermal, by molecular dynamics and Monte Carlo—as well as analytic theory have been used to study this process. The diagnostics that have been used include study of mean nearest interparticle distances, kinetic energy distributions, pair distribution functions, angular distribution functions, mean square displacements and diffusion coefficients, velocity autocorrelation functions and their Fourier transforms, caloric curves, and snapshots. From the simulations it seems that some clusters, such as Ar, 3 and Ar, 9, exhibit the double-valued equation of state and bimodal kinetic energy distributions characteristic of the phase change just described, but others do not. Another kind of behavior seems to occur with Arss, which exhibits a heterogeneous equilibrium, with part of the cluster liquid and part solid. 

Fig. 9. Kinetic energy distributions for physically sputtered products obtained from the simulation (symbols). Data taken from all simulated layers with F/Si > 0.39 for the chemically sputtering results, represented here as the dashed, dot-dash, and dotted lines, assuming a Maxwell-Boltzmann kinetic energy distribution and 300 K. Solid-line fit to the symbols is collision cascade model with a fitted value of Uq. (From Barone and Graves, 1995a.)...

Simulation and comparison of turbulent kinetic energy distribution Z = 0 axial cross section turbulent kinetic energy of precipitator under rated operating conditions are shown in Fig. 8. 

If Restart is not checked then the velocities are randomly assigned in a way that leads to a Maxwell-Boltzmann distribution of velocities. That is, a random number generator assigns velocities according to a Gaussian probability distribution. The velocities are then scaled so that the total kinetic energy is exactly 12 kT where T is the specified starting temperature. After a short period of simulation the velocities evolve into a Maxwell-Boltzmann distribution. 

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