Supercomputer analysis of one-dimensional multiple-quantum dynamics of nuclear spins in solids

We report the results of supercomputer simulations of multiple-quantum (MQ) NMR dynamics of linear nuclear spin chains of 12–15 spins coupled by the dipole–dipole interactions (DDI). The supercomputer simulations demonstrate that MQ dynamics of linear spin chains exhibits oscillatory behavior. MQ coherence growth in powders of non-interacting linear spin chains is also investigated. We compare the results of the supercomputer simulations in single-crystals and powders with the predictions of a phenomenological Gaussian approximation and the experimental data for MQ NMR dynamics in quasi-one-dimensional spin clusters in apatites.