Following the experimental procedure, we cross-linked the diene tails of the monomers which locks the monomers in place for their application. In experiments, cross-linking occurs via photo-initiated free radical polymerization. In our simulation, however, we used dummy hydrogen atoms as initiators. The overall cross-linking algorithm is an iterative process. The process starts with the crosslinking of the nearest 1% of all diene tails within the cutoff distance (0.5 nm), each of which creates a cross-linking bond and a radical. We enforced the cutoff distance of 0.5 nm to prevent cross-linking of tails that manifest too distant. In the following iteration, the free radicals react with other diene tails within the cutoff distance to form cross-linking bonds and propagate the radicals. We only allowed 20% of the radicaldiene pairs within the cutoff distance to react in each iteration for the stability of the simulation. The initiation process also continues in each iteration creating new radicals. Each iteration is followed by energy minimization and a 0.5 ps NVT equilibration. The process ends when desired cross-linking density (90%) is reached after which the remaining radicals are terminated by a dummy hydrogen atom. The cutoff of 0.5 nm is somewhat unphysical, but can achieve the degree of cross-linking (∼90%) obtained in the experiment in a moderate amount of simulation time. Others have shown that similar cutoff distance (0.55 nm) is necessary to achieve 90% cross-linking in MD simulations of polymerization reactions. As noted later in analysis, the morphology does not change significantly when cross-linking is performed, suggesting that the final results may be mostly independent of the precise cross-linking details.