Fig. 3: MD simulation results on LiPS. | npj Computational Materials

Fig. 3: MD simulation results on LiPS.

From: Cartesian atomic moment machine learning interatomic potentials

Fig. 3

a Radial distribution function. b Angular distribution function for the S–P–S tetrahedral angle. c Mean squared displacement of Li+ in LiPS. Five MD simulations are performed, and the calculated Li+ diffusion coefficient is D = (1.08 ± 0.08) × 10−5 cm2/s.

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