Inherent Tension in Chemical Bonds

ORAL

Abstract

A method is provided for relating average internal tension in bonds between atoms or monomeric units to the external tension applied to them using computer simulations. In dimensions greater than one, there is an average internal tension in bonds on the order of 100 pN even in the absence of an externally applied tension. This non-zero average internal tension is due to asymmetry of thermal fluctuations of bond length and increases with increasing dimensionality. Results from molecular dynamics simulations are in perfect agreement with analytical calculations of tension.

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Authors

  • James Brock

    UNC Chapel Hill

  • Qi Liao

    Institute of Chemistry, the Chinese Academy of Sciences, UNC Chapel Hill

  • Michael Rubinstein

    Department of Chemistry, The University of North Carolina, Chapel Hill, NC 27599, University of North Carolina, University of North Carolina at Chapel Hill, Department of Chemistry, The University of North Carolina at Chapel Hill, NC 27599-3290, Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599-3290, USA, UNC Chapel Hill