Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter.
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.
Research School of Chemistry, The Australian National University, Canberra, ACT 0200, Australia.
Y X
YX
Gao
G M
GM
Wang
D R M
DR
Williams
Stephen R
SR
Williams
Denis J
DJ
Evans
E M
EM
Sevick
D003102:Colloids / Q000737:chemistry*; D018625:Microscopy, Atomic Force; D043862:Rotaxanes / Q000737:chemistry*
D003102:Colloids; D043862:Rotaxanes