Molecular dynamics simulation of AFM studies of a single polymer chain |
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Authors: | Wenhai Wang Keya Sadeghipour |
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Institution: | a Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122, USA b Department of Chemistry, Temple University, 1901 N. 13th Street, Philadelphia, PA 19122, USA |
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Abstract: | Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks. |
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Keywords: | 02 70 Ns 07 79 Lh |
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