Nonequilibrium nanoscale systems

Project Summary

Fluctuations become very significant as system sizes decrease, and therefore are important in understanding the properties and behaviour or nanoscale systems. Observation of the distribution of fluctuations can also be used to measure properties of systems that are difficult to determine in other ways.

This project involves use of fundamental science to develop new relationships applicable to small systems. We have developed new statistical mechanical relationships that are applicable near and far from equilibrium that both characterise the fluctuations and can be used to derive exact relationships in nonequilibrium thermodynamics.

Le Chatelier’s principle states that when a system is disturbed, it will shift its equilibrium to counteract the disturbance. However for a chemical reaction in a small, confined system, the probability of observing it proceed in the opposite direction to that predicted by Le Chatelier’s principle, can be significant. This can be quantified by the fluctuation theorem, given by the equation in this figure. This result was tested using computer simulations of the unfolding of a polypeptide due to a change in temperature. — *Nanoscale systems model*

Research Group

Bernhardt Group

Keywords

Nonequilibirum systems, Fluctuations, Free energy calculations, Solubility, Phase changes, Properties of nanoscale systems, Transport processes, Jarzynski Equality Fluctuation Relations, Nanomaterials, Manufacturing, Materials, Nanobiotechnology