Back to Search Start Over

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

Authors :
Gao YX
Wang GM
Williams DR
Williams SR
Evans DJ
Sevick EM
Source :
The Journal of chemical physics [J Chem Phys] 2012 Feb 07; Vol. 136 (5), pp. 054902.
Publication Year :
2012

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.

Details

Language :
English
ISSN :
1089-7690
Volume :
136
Issue :
5
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
22320759
Full Text :
https://doi.org/10.1063/1.3680601