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

Yongxiang Gao | Zendy; G. M. Wang | Zendy; D. R. M. Williams | Zendy; Stephen R. Williams | Zendy; Denis J. Evans | Zendy; E. M. Sevick | Zendy

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

Author(s) -

Yongxiang Gao,

G. M. Wang,

D. R. M. Williams,

Stephen R. Williams,

Denis J. Evans,

E. M. Sevick

Publication year - 2012

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3680601

Subject(s) - force spectroscopy , soft matter , displacement (psychology) , spectroscopy , piston (optics) , measure (data warehouse) , dynamic equilibrium , sampling (signal processing) , physics , thermodynamic equilibrium , chemical physics , chemistry , materials science , statistical physics , molecule , thermodynamics , optics , computer science , quantum mechanics , psychology , wavefront , database , detector , psychotherapist , colloid

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.

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