Figure 2.

Experimentally measured volume-averaged ¹²⁹Xe polarization in pure-xenon clusters as a function of time for positive and negative DNP (filled and open circles).* Simultaneous fitting of the model using the earlier simplest (A, Eq. (9)),* earlier bottleneck (B, Eq. (10)),* and the current ab initio (C, Eqs. (6) and (8)) boundary conditions. Note the poor quality of the fit to the experimental data in A. The insets D and E show a closeup view of the cluster-average polarization within minutes after initiating DNP. Note the peculiar behavior of polarization for 0 < t < 300 min under negative DNP and the quality of the fit using the earlier bottleneck and the current ab initio boundary conditions.

* Reproduced with permission from Ref. [13].