Fig. 4: Influence of chain mobility on the thermoresponse of a SW trimer.
From: Giant thermal expansion of a two-dimensional supramolecular network triggered by alkyl chain motion
a, b Atomic configurations of the SW trimer initially (a), and after 1 μs long MD simulation at 450 K (b). c Time-evolution of the average distance between the molecule cores (top) and chain fluctuations (bottom). The insets are MD snapshots before and after expansion event 2 occurring at 450 K. d Time-averaged evolution of the total energy of the SW trimer during the MD simulation at 450 K.
