Resolution:
standard / ## Figure 8.
Critical unfolding temperature (T_{unfolding}) versus molecule length. Due to the stochastic nature of unfolding, simulation results indicate a range of
possible unfolding temperatures for each length of carbyne model. The maximum and
minimum of each length are plotted. For example, for n = 126 (L ≅ 170 Å), both unfolding and stable structures were observed at temperatures from
575 to 650 K (points plotted), but all simulations above 650 K unfolded, and all below
575 K remained stable. The results were fitted with a linear regression (red line),
resulting in a temperature intercept of -204 ± 142 K and a slope of 4.2 ± 0.85 K Å^{-1} (with an associated R^{2} value of 0.889). The results can be associated with Equation 6. The regression can
be used to delineate the folded (stable) and unfolded (unstable) states in an effective
phase diagram. The 90% confidence intervals are also plotted, encapsulating all observed
data points.
Cranford |