Fig. 4: Comparison of potential energy and displacement dynamics using various interatomic potentials. | npj Materials Degradation

Fig. 4: Comparison of potential energy and displacement dynamics using various interatomic potentials.

From: A review of displacement cascade simulations using molecular dynamics emphasizing interatomic potentials for TPBAR components

Fig. 4

a Short-range potential energy per atom for a tungsten dimer, calculated using various interatomic potentials and compared with DFT results. The M-S_s potential exhibits a clear deviation from the others. b Time progression of the total squared displacement (Å2) in representative collision cascades triggered by 10 keV PKA. Reprinted from48 with permission from Elsevier.

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