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The temperature dependence of the nuclear free induction decay in thepresence of a magnetic-field gradient was found to exhibit motional narrowingin gases upon heating, a behavior that is opposite to that observed in liquids.This has led to the revision of the theoretical framework to include a moredetailed description of particle trajectories, since decoherence mechanismsdepend on histories. In the case of free diffusion and single component, thenew model yields the correct temperature trends. Inclusion of boundaries in thecurrent formalism is not straightforward. We present a hybrid SDE-MD(stochastic differential equation - molecular dynamics) approach whereby MD isused to compute an effective viscosity and the latter is fed to the SDE topredict the lineshape. The theory is in agreement with experiments. Thistwo-scale approach, which bridges the gap between short (molecular collisions)and long (nuclear induction) timescales, paves the way for the modeling ofcomplex environments with boundaries, mixtures of chemical species andintermolecular potentials.

Nuclear Induction Lineshape Modeling via Hybrid SDE and MD Approach