Chemistry Article Summary

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Chemistry Article Summary ‘Correlations in the Motion of Atoms in Liquid Argon’ is a seven-page journal article that is authored by A. Rahman, which discusses molecular dynamics. In fact, the article presents the summary of a study that incorporated the use of digital computes to experiment on the time and space (distance) dependence of two-body correlations that characterize the slow inelastic scattering of neutrons in liquid argon at specified temperature and density conditions. Overall, the author notes that the available theories on molecular dynamics have failed to explain the inelastic scattering of neutrons noted in liquid argon, suggesting that a delayed-convolution approximation was necessary to address that need (Rahman, 1964). As such, the article contributes to molecular dynamics studies by testing the prevailing theories and proposing a more appropriate theory that match the results noted for inelastic scattering of neutrons in liquid argon. The author introduces the article’s intentions by noting the available molecular dynamics theories for the two-body dynamical correlation accounting for the observations made in liquid argon. This is followed by a description of the computational method applied in the paper, noting that an argon atom had a specific mass with the atoms paired to facilitate interactions. The paired atoms were then excited to move, and the movements subjected to calculations that noted the oscillations with the predictor-corrector applied to improve the results accuracy. Next, the distance of closest approach for the atoms was calculated. This was followed by the mean velocity in oK while undergoing the potential minimum. Finally, the

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