arXiv subjects

Le Qiao

Publications and source records attributed to Le Qiao.

9 recordsLinked to original sources

arXiv2026

Particle-Mediated Tuning of Defect Stability in Lamellar Block Copolymer Systems

We study how colloidal inclusions modify the formation energy of dislocation pairs in lamellar block copolymer systems. Using a hybrid particle/Ginzburg--Landau model, we calculate defect formation energies by comparing defect-free and defect-containing states with and without embedded colloids. Finite-size scaling is used to obtain formation energies in the thermodynamic limit. The effect of colloid insertion depends strongly on particle sizes and surface patterning. Homogeneous particles increasingly stabilize dislocation pairs with increasing particle sizes. Particles larger than one lamellar domain preferentially occupy the dislocation cores, where they replace strained polymer rather than deforming defect-free lamellae. The magnitude of this stabilization depends on surface affinity. Balanced Janus particles instead increase the formation energy, because their competing surface preferences cannot be satisfied simultaneously near the curved core. Varying the patch ratio interpolates between these limits. Surface patterning has little effect for particles smaller than one lamellar domain but changes the formation energy by several tens of $k_BT$ for larger particles. These results provide quantitative guidelines for controlling topological defect stability in lamellar block copolymer systems.

cond-mat.soft↗

arXiv2026

Active Transport as a Mechanism of Microphase Selection in Biomolecular Condensates

The size and organization of biomolecular condensates formed by liquid-liquid phase separation (LLPS) are set by multiple cellular mechanisms that are not yet fully understood. Here we identify a transport-driven mechanism: stochastic binding of phase-separating proteins to cytoskeletal motor proteins, followed by active redistribution along filament networks, generates an effective long-range repulsion that arrests coarsening and selects a finite condensate size. A minimal diffusion-transport model, analyzed by linear stability theory and three-dimensional simulations, reveals a transition from macroscopic to microphase separation at remarkably low binding/release fractions, corresponding to minute motor-bound populations. Tuning motor binding rates $b$ or transport velocities enables sublinear control of condensate sizes ($L \sim b^{-1/4}$) from a few hundred nanometres up to the micron scale. The selected length scale is robust to the intrinsic shot noise of the binding--release reactions. In anisotropic cytoskeletal environments, transport asymmetry drives morphological transitions from spherical to cylindrical condensates, independently of the thermodynamic parameters. This mechanism provides a versatile, spatiotemporally programmable route to condensate organization and informs the design of synthetic active emulsions with tunable architectures.

physics.bio-ph↗

arXiv2024

Stability and Elasticity of Ultrathin Sphere-Patterned Block Copolymer Films

Sphere-patterned ultrathin block copolymers films are potentially interesting for a variety of applications in nanotechnology. We use self-consistent field theory to investigate the elastic response of sphere monolayer films with respect to in-plane shear, in-plane extension and compression deformations, and with respect to bending. The relations between the in-plane elastic moduli is roughly compatible with the expectations for two-dimensional elastic systems with hexagonal symmetry, with one notable exception: The pure shear and the simple shear moduli differ from each other by roughly 20%. Even more importantly, the bending constants are found to be negative, indicating that free-standing block copolymer membranes made of only sphere mono-layer are inherently unstable above the glass transition. Our results are discussed in view of experimental findings.

cond-mat.soft↗

arXiv2023

Ratcheting charged polymers through symmetric nanopores using pulsed fields: Designing a low pass filter for concentrating DNA

We present a new concept for the separation of DNA molecules by contour length that combines a nanofluidic ratchet, nanopore translocation and pulsed fields. Using Langevin Dynamics simulations, we show that it is possible to design pulsed field sequences to ratchet captured semiflexible molecules in such a way that only short chains successfully translocate, effectively transforming the nanopore process into a low pass molecular filter. We also show that asymmetric pulses can significantly enhance the device efficiency. The process itself can be performed with many pores in parallel, and it should be possible to integrate it directly into nanopore sequencing devices, increasing its potential utility.

cond-mat.soft↗

arXiv2022

Capture and translocation of a rod-like molecule by a nanopore: orientation, charge distribution and hydrodynamics

We investigate the translocation of rods with different charge distributions using hybrid Langevin Dynamics and Lattice Boltzmann (LD-LB) simulations. Electrostatic interactions are added to the system using the $P^3M$ algorithm to model the electrohydrodynamic interactions (EHI). We first examine the free-solution electrophoretic properties of rods with various charge distributions. Our translocation simulation results suggest that the order parameter is asymmetric during the capture and escape processes despite the symmetric electric field lines, while the impacts of the charge distribution on rod orientation are more significant during the capture process. The capture/threading/escape times are under the combined effects of charge screening, rod orientation, and charge distributions. We also show that the mean capture time of a rod is shorter when it is launched near the wall because rods tend to align along the wall and hence with the local field lines. Remarkably, the \textit{orientational capture radius} we proposed previously for uniformly charged rods is still valid in the presence of EHI.

cond-mat.soft↗

arXiv2022

An empirical method to characterize displacement distribution functions for anomalous and transient diffusion

We propose a practical empirical fitting function to characterize the non-Gaussian displacement distribution functions (DispD) often observed for heterogeneous diffusion problems. We first test this fitting function with the problem of a colloidal particle diffusing between two walls using Langevin Dynamics (LD) simulations of a raspberry particle coupled to a lattice Boltzmann (LB) fluid. We also test the function with a simple model of anomalous diffusion on a square lattice with obstacles. In both cases, the fitting parameters provide more physical information than just the Kurtosis (which is often the method used to quantify the degree of anomaly of the dynamics), including a length scale that marks where the tails of the DispD begin. In all cases, the fitting parameters smoothly converge to Gaussian values as the systems become less anomalous.

cond-mat.soft↗

arXiv2021

An efficient Kinetic Monte Carlo to study analyte capture by a nanopore: Transients, boundary conditions and time-dependent fields

To better understand the capture process by a nanopore, we introduce an efficient Kinetic Monte Carlo (KMC) algorithm that can simulate long times and large system sizes by mapping the dynamic of a point-like particle in a 3D spherically symmetric system onto the 1D biased random walk. Our algorithm recovers the steady-state analytical solution and allows us to study time-dependent processes such as transients. Simulation results show that the steady-state depletion zone near pore is barely larger than the pore radius and narrows at higher field intensities; as a result, the time to reach steady-state is much smaller than the time required to empty a zone of the size of the capture radius $λ_e$. When the sample reservoir has a finite size, a second depletion region propagates inward from the outer wall, and the capture rate starts decreasing when it reaches the capture radius $λ_e$. We also note that the flatness of the electric field near the pore, which is often neglected, induces a traffic jam that can increase the transient time by several orders of magnitude. Finally, we propose a new proof-of-concept scheme to separate two analytes of the same mobility but different diffusion coefficients using time-varying fields.

physics.bio-ph↗

arXiv2020

Capture of rod-like molecules by a nanopore: defining an "orientational capture radius"

Both the translational diffusion coefficient $D$ and the electrophoretic mobility $μ$ of a short rod-like molecule (such as dsDNA) that is being pulled towards a nanopore by an electric field should depend on its orientation. Since a charged rod-like molecule tends to orient in the presence of an inhomogeneous electric field, $D$ and $μ$ will change as the molecule approaches the nanopore, and this will impact the capture process. We present a simplified study of this problem using theoretical arguments and Langevin Dynamics simulations. In particular, we introduce a new \textit{orientational capture radius} which we compare to the capture radius for the equivalent point-like particle, and we discuss the different physical regimes of orientation during capture and the impact of initial orientations on the capture time.

physics.bio-ph↗

arXiv2019

Voltage-Driven Translocation: Defining a Capture Radius

Analyte translocation involves three phases: (i) diffusion in the loading solution; (ii) capture by the pore; (iii) threading. The capture process remains poorly characterized because it cannot easily be visualized or inferred from indirect measurements. The capture performance of a device is often described by a \textit{capture radius} generally defined as the radial distance $R^*$ at which diffusion-dominated dynamics cross over to field-induced drift. However, this definition is rather ambiguous and the related models are usually over-simplified and studied in the steady-state limit. We investigate different approaches to defining and estimating $R^*$ for a charged particle diffusing in a liquid and attracted to the nanopore by the electric field. We present a theoretical analysis of the Péclet number as well as Monte Carlo simulations with different simulation protocols. Our analysis shows that the boundary conditions, pore size and finite experimental times all matter in the interpretation and calculation of $R^*$.

physics.bio-ph↗