arXiv subjects

Qiyun Tang

Publications and source records attributed to Qiyun Tang.

8 recordsLinked to original sources

arXiv2026

Active Self-Consistent Field Theory for Ornstein-Uhlenbeck Polymers

We develop an active self-consistent field theory (ASCFT) for studying the steady-state behavior of active Ornstein--Uhlenbeck polymers. Starting from the stochastic equations of motion under the unified colored noise approximation, we derive an effective Hamiltonian that extends the classical polymer field theory to non-equilibrium systems. The resulting free energy functional incorporates both the Flory--Huggins interaction parameter $χN$ and the persistence time $τ$ of the active noise, enabling a unified description of thermodynamic and activity-driven effects. To solve the governing equations, we implement a stable implicit-explicit numerical scheme that handles the fourth-order term induced by activity. Our simulations reveal that increasing activity suppresses microphase separation, with the density modulation amplitude decaying as $Δϕ\propto τ^{-1/2}$ for large $τ$. This scaling is independent of copolymer composition and is confirmed by an asymptotic analysis of the free energy functional in the large-$τ$ limit. The ASCFT framework provides a new theoretical tool for predicting and designing the non-equilibrium morphologies of active polymer systems, bridging the gap between traditional self-consistent field theory and active matter physics.

cond-mat.soft↗

arXiv2026

State-Resolved Integral of First-Passage Times for Multi-Site Polymer Adsorption

Understanding the interfacial structure of multi-site polymer adsorption is critical for the rational design of functional nanomaterials. However, the distribution of chains attached via one, two, or more anchor points has remained inaccessible to experiments and conventional simulations. Experiments typically measure ensemble averages such as total adsorbed mass, while molecular dynamics simulations are limited to timescales far shorter than the relevant adsorption processes. To address this challenge, we introduce the State-Resolved Integral of First-Passage Times (SR-IFS) method. This approach decouples fast intra-layer conformational adjustments from the slow kinetics of external chain exchange, enabling quantitative prediction of the time-dependent distribution of attachment states ($p_1$, $p_2$, $p_3$) within a multi-site adsorbed layer. Using 3-arm star-like polymers as a model system, we show that the interfacial state distribution evolves from an initial prevalence of three-point attachments to a more heterogeneous mixture over long time scales, and that the equilibrium distribution can be systematically tuned by adjusting the monomer binding energy. The SR-IFS method provides access to this state-resolved information, offering a connection between microscopic kinetics and macroscopic interfacial properties.

cond-mat.soft↗

arXiv2024

Mobility edges in non-Hermitian models with slowly varying quasi-periodic disorders

We investigate the appearance of mobility edges in a one-dimensional non-Hermitian tight-banding model with alternating hopping constants and slowly varying quasi-periodic on-site potentials. Due to the presence of slowly varying exponent, the parity-time (PT) symmetry of this model is broken and its spectra is complex. It is found that the spectrum of this model can be divided into three different types of patterns depending on the magnitude of the quasi-periodic potential. As the amplitude of the potential increases from small to large, the initially well defined mobility edges become blurred gradually and then eventually disappear for large enough potential. This behavior of the mobility edges is also confirmed by a detailed study of the winding number of the complex spectra of this non-Hermitian model.

cond-mat.dis-nn↗

arXiv2023

Mobility edges in one dimensional models with large quasi-periodic disorders

We study the one-dimensional tight-binding model with quasi-periodic disorders, where the quasi-period is tuned to be very large. It is found that this type of model with large quasi-periodic disorders can also support the mobility edges, which is very similar to the models with slowly varying quasi-periodic disorders. The energy matching method is employed to determine the locations of mobility edges in both types of models. These results of mobility edges are verified by numerical calculations in various examples. We also provide a qualitative arguments to support the fact that large quasi-periodic disorders will lead to the existence of mobility edges.

cond-mat.dis-nn↗

arXiv2021

Mobility Edges in one-dimensional Models with quasi-periodic disorder

We study the mobility edges in a variety of one-dimensional tight binding models with slowly varying quasi-periodic disorders. It is found that the quasi-periodic disordered models can be approximated by an ensemble of periodic models. The mobility edges can be determined by the overlaps of the energy bands of these periodic models. We demonstrate that this method provides an efficient way to find out the precise location of mobility edge in qusi-periodic disordered models. Based on this approximate method, we also propose an index to indicate the degree of localization of each eigenstate.

cond-mat.dis-nn↗

arXiv2016

Counterion-Induced Swelling of Ionic Microgels

Ionic microgel particles, when dispersed in a solvent, swell to equilibrium sizes that are governed by a balance between electrostatic and elastic forces. Tuning of particle size by varying external stimuli, such as $p$H, salt concentration, and temperature, has relevance for drug delivery, microfluidics, and filtration. To model swelling of ionic microgels, we derive a statistical mechanical theorem, which proves exact within the cell model, for the electrostatic contribution to the osmotic pressure inside a permeable colloidal macroion. Applying the theorem, we demonstrate how the distribution of counterions within an ionic microgel determines the internal osmotic pressure. By combining the electrostatic pressure, which we compute via both Poisson-Boltzmann theory and molecular dynamics simulation, with the elastic pressure, modeled via the Flory-Rehner theory of swollen polymer networks, we show how deswelling of ionic microgels with increasing concentration of particles can result from a redistribution of counterions that reduces electrostatic pressure. A linearized approximation for the electrostatic pressure, which proves remarkably accurate, provides physical insight and greatly eases numerical calculations for practical applications. Comparing with experiments, we explain why soft particles in deionized suspensions deswell upon increasing concentration and why this effect may be suppressed at higher ionic strength. The failure of the uniform ideal-gas approximation to adequately account for counterion-induced deswelling below close packing of microgels is attributed to neglect of spatial variation of the counterion density profile and the electrostatic pressure of incompletely neutralized macroions.

cond-mat.soft↗

arXiv2015

Ion Density Deviations in Semipermeable Ionic Microcapsules

By implementing the nonlinear Poisson-Boltzmann theory in a cell model, we theoretically investigate the influence of polyelectrolye gel permeability on ion densities and pH deviations inside the cavities of ionic microcapsules. Our calculations show that variations in permeability of a charged capsule shell cause a redistribution of ion densities within the capsule, which ultimately affects the pH deviation and Donnan potential induced by the electric field of the shell. We find that semipermeable capsules can induce larger pH deviations inside their cavities that can permeable capsules. Furthermore, with increasing capsule charge, the influence of permeability on pH deviations progressively increases. Our theory, while providing a self-consistent method for modeling the influence of permeability on fundamental properties of ionic microgels, makes predictions of practical significance for the design of microcapsules loaded with fluorescent dyes, which can serve as biosensors for diagnostic purposes.

cond-mat.soft↗

arXiv2014

Ion Density Deviations in Polyelectrolyte Microcapsules: Influence on Biosensors

Polyelectrolyte microcapsules loaded with fluorescent dyes have been proposed as biosensors to monitor local pH and ionic strength for diagnostic purposes. In the case of charged microcapsules, however, the local electric field can cause deviations of ion densities inside the cavities, potentially resulting in misdiagnosis of some diseases. Using nonlinear Poisson-Boltzmann theory, we systematically investigate these deviations induced by charged microcapsules. Our results show that the microcapsule charge density, as well as the capsule and salt concentrations, contribute to deviations of local ion concentrations and pH. Our findings are relevant for applications of polyelectrolyte microcapsules with encapsulated ion-sensitive dyes as biosensors.

cond-mat.soft↗