{'fraction_non_alphanumeric': 0.02214022140221402, 'fraction_numerical': 0.0018450184501845018, 'mean_word_length': 5.027777777777778, 'pattern_counts': {'":': 0, '<': 0, '<?xml version=': 0, '>': 0, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
Structural and transport properties in the Ag3SI system: a molecular dynamics study of alpha, beta and molten phases

Structural properties of the β phase and transport properties of the superionic (α), β and molten phases of Ag3SI are investigated by molecular dynamics simulation (MD), using Vashishta–Rahman (VR)-type potentials. In the β phase, the pair distribution functions are quite different from those in the α phase, because anions form the order arrangement in a bcc structure in the β phase, whereas anions occupy the lattice points randomly in the α phase. The silver distributions obtained in the β phase are in good agreement with experimental results, which are quite different from those in the α phase, as we reported in a previous paper. The conductivities obtained in the α and β phases by MD are also in good agreement with experiments. The frequency dependent diffusion coefficients in the α and β phases, which are derived from the temporal Fourier transformation of the velocity autocorrelation function, have similar features to the neutron TOF spectra data.