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Antony Lesage

Publications and source records attributed to Antony Lesage.

2 recordsLinked to original sources

Distribution of the Radius of Gyration for an ISAW

We aim at calculating an explicit expression for the finite-size probability distribution of the radius of gyration $R$ of an Interacting Self-Avoiding Walk (ISAW), as a function of chain length $N$ and monomer-monomer interaction energy $\varepsilon$. We first derive the explicit free energy expression for a non-interacting Self-Avoiding Walk, introducing a new natural scale variable $t = ρ^g$ expressed as a power of the density $ρ$. Then, thanks to a cumulant expansion approach introduced by Lhuillier, Victor and coworkers, we extend it to the interacting case, capturing both the coil-globule transition and finite-size corrections to scaling, including entropic and surface-energy contributions. The radius of gyration distribution determined by the new free energy expression is then compared, using Bayesian inference to estimate the model parameters, to results from extensive Monte Carlo simulations of three-dimensional ISAWs, showing excellent agreement except very close to the $Θ$-point, where finite chain lengths limit the accessible scaling regime. This validates our resulting free energy expression and allows us, as an application, to construct a phase diagram of the coil-globule transition.

cond-mat.stat-mech

Assessing the polymer coil-globule state from the very first spectral modes

The determination of the coil-globule transition of a polymer is generally based on the reconstruction of scaling laws, implying the need for samples from a rather wide range of different polymer lengths $N$. The spectral point of view developed in this work allows for a very parsimonious description of all the aspects of the finite-size coil-globule transition on the basis of the first two Rouse (cosine) modes only, shedding new light on polymer theory. Capturing the relevant configuration path features, the proposed approach enables to determine the state of a polymer without the need of any information about the polymer length or interaction strength. Importantly, we propose an experimental implementation of our analysis that can be easily performed with modern fluorescent imaging techniques, and would allow differentiation of coil or globule conformations by simply recording the positions of three discernible loci on the polymer.

cond-mat.soft