Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter

Y. X. Gao, G. M. Wang, D. R.M. Williams, Stephen R. Williams, Denis J. Evans, E. M. Sevick*

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    6 Citations (Scopus)

    Abstract

    Physical systems often respond on a timescale which is longer than that of the measurement. This is particularly true in soft matter where direct experimental measurement, for example in force spectroscopy, drives the soft system out of equilibrium and provides a non-equilibrium measure. Here we demonstrate experimentally for the first time that equilibrium physical quantities (such as the mean square displacement) can be obtained from non-equilibrium measurements via umbrella sampling. Our model experimental system is a bead fluctuating in a time-varying optical trap. We also show this for simulated force spectroscopy on a complex soft molecule-a piston-rotaxane.

    Original languageEnglish
    Article number054902
    JournalJournal of Chemical Physics
    Volume136
    Issue number5
    DOIs
    Publication statusPublished - 7 Feb 2012

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