Simulation study on the migration of diblock copolymers in periodically patterned slits.

The forced migration of diblock copolymers (AB) in periodically patterned slits was investigated by using Langevin dynamics simulation. The lower surface of the slit consists of stripe α and stripe β distributed in alternating sequence, while the upper one is formed only by stripe β. The interaction between block A and stripe α is strongly attractive, while all other interactions are purely repulsive.

Simulation on the translocation of homopolymers through sandwich-like compound channels.

The forced translocation of homopolymers through αβα sandwich-like compound channels was investigated by Monte Carlo simulation. The interaction between polymer and part α is strongly attractive, whereas that between polymer and part β is purely repulsive. Simulation results show that the translocation is influenced obviously by the length of part β (Lβ) and the starting position of part β (Lα1).

Simulation on the translocation of polymer through compound channels.

The translocation of a polymer through compound channels under external electrical field was investigated by Monte Carlo simulation on a three-dimensional simple cubic lattice. The compound channel is composed of two parts: part α with length L(pα) and part β with length L(pβ). The two parts have different polymer-channel interactions: a strong attractive interaction with strength ε(α) for part α and a variable interaction with strength ε(β) for part β.

Escape of polymer chains from an attractive channel under electrical force.

The escape of polymer chains from an attractive channel under external electrical field is studied using dynamical Monte Carlo method. Though the escaping process is nonequilibrium in nature, results show that the one-dimensional diffusion theoretical model based on the equilibrium assumption can describe the dependence of the average escaping time (τ(0)) on the polymer-channel interaction (ɛ), the electrical field (E), the chain length (n), and the channel length (L), qualitatively. Results indicate that both ɛ and E play very important roles in the escaping dynamics.

Effect of attractive polymer-pore interactions on translocation dynamics.

The effect of attractive polymer-pore interaction on the translocation of polymer chain through a nanopore under electric field is studied by using dynamical Monte Carlo method. The translocation dynamics is remarkably influenced by the interaction. The translocation time for chain moving through nanopore is strongly dependent on the interaction.

Simulation study on the translocation of polymer chains through nanopores.

The translocation of polymer chains through nanopores is simulated by dynamical Monte Carlo method. The free energy landscape for the translocation of polymer is calculated by scanning method. The dependence of the free energy barrier Fb and the chemical difference Deltamu on the concentration of chains can explain the behavior of polymer translocation at low and high concentration limits.

Dynamic Monte Carlo study on the probability distribution functions of tail-like polymer chain.

The configurational properties of tail-like polymer chains with one end attached to a flat surface are studied by using dynamic Monte Carlo technique. We find that the probability distribution of the free end in z direction P(R(z)) and the density profile rho(z) can be scaled approximately by a factor beta to be a length independent function for both random walking (RW) and self-avoiding walking (SAW) tail-like chains, where the factor beta is related to the mean square end-to-end distance . The scaled P(R(z)) of the SAW chain roughly overlaps that of the RW chain, but the scaled rho(z) of the SAW chain locates at smaller betaz than that of the RW chain.