Figure 7.

Local curvature, κ(ŝ,t). (a) Curvature across molecule for n = 72 at a stable low temperature (50 K). The curvature across the molecule is approximately constant (with thermal fluctuations); average, approximately 0.27 Å-1. (b) At a higher temperature (T = 200 K), the structure is unstable and undergoes unfolding. Unfolding induces localized increases in curvature resulting in large peaks (к → 0.5 Å-1) for sections of the molecule length. Once sufficient unfolding occurs, the structure approaches a homogeneous, unfolded state (κ ≈ 0.12 Å-1). (c) Curvature across molecule for n = 144 at a stable low temperature (300 K). Again, the curvature across the molecule is approximately constant; average, approximately 0.11 Å-1. (d) At a higher temperature (T = 725 K), the longer structure is unstable and undergoes unfolding. Again, unfolding induces localized increases in curvature resulting in large peaks (к → 0.3 Å-1) for sections of the molecule length. Once sufficient unfolding occurs, the structure approaches a homogeneous, unfolded state (κ ≈ 0.06 Å-1).

Cranford Nanoscale Research Letters 2013 8:490   doi:10.1186/1556-276X-8-490
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