相关论文: Effect of Counterion Size on Polyelectrolyte Confo…
We analyze theoretically and by means of molecular dynamics (MD) simulations the generation of mechanical force by a polyelectrolyte (PE) chain grafted to a plane. The PE is exposed to an external electric field that favors its adsorption…
In the present work, we study the equilibrium conformations of linear polyelectrolytes tethered onto a spherical, oppositely charged core in equilibrium with an ionic reservoir of fixed concentration. Particular focus is placed on the…
We analyzed the domain morphology, electrocaloric response, and negative capacitance states in a one-dimensional array of uniformly oriented, radial symmetric ferroelectric nanowires, whose spontaneous polarization is normal to their…
Electrocaloric (EC) materials show promise in eco-friendly solid-state refrigeration and integrable on-chip thermal management. While direct measurement of EC thin-films still remains challenging, a generic theoretical framework for…
Understanding the effect of inhomogeneity on the charge regulation and dielectric properties, and how it depends on the conformational characteristics of the macromolecules is a long-standing problem. In order to address this problem, we…
Monopole-fermion (and dyon-fermion) interactions provide a famous example where scattering from a compact object gives a cross section much larger than the object's geometrical size. This underlies the phenomenon of monopole catalysis of…
We show various aspects of finite size effects on Bose-Einstein condensation(BEC). In the first section we introduce very briefly the BEC of harmonically trapped ideal Bose gas. In the second section we theoretically argued that…
We investigate the cooperative effects of a single finite chain of monomers near an attractive substrate by first constructing a conformational pseudo-phase diagram based on the thermal fluctuations of energetic and structural quantities.…
The two-photon-exchange (TPE) contribution in $ep\rightarrow ep\pi ^0$ with $W=M_{\Delta}$ and small $Q^2$ is calculated and its corrections to the ratios of electromagnetic transition form factors $R_{EM} = E_{1+}^{(3/2)}/M_{1+}^{(3/2)} $…
We investigate conformations and dynamics of a polymer considering its monomers to be active Brownian particles. This active polymer shows very intriguing physical behavior which is absent in an active Rouse chain. The chain initially…
The structure of polyelectrolytes is highly sensitive to small changes in the interactions between its monomers. In particular, interactions mediated by counterions play a significant role, and are affected by both specific molecular…
We report results from a molecular dynamics (MD) simulation on the conformations of a long flexible polyelectrolyte complexed to a charged sphere, \textit{both negatively charged}, in the presence of neutralizing counterions in the strong…
Starting with a model Hamiltonian, we study using the uniform expansion method conformational behavior of polyelectrolytes in the presence and absence of salt. The uniform expansion method yields all the important local length scales in the…
We provide a theory for the dynamics of collapse of strongly charged polyelectrolytes (PEs) and flexible polyampholytes (PAs) using Langevin equation. After the initial stage, in which counterions condense onto PE, the mechanism of approach…
Electrophoretic (EP) mobility reversal is commonly observed for strongly charged macromolecules in multivalent salt solutions. This curious effect takes place, e.g., when a charged polymer, such as DNA, adsorbs excess counterions so that…
Within the framework of a Modified Poisson-Boltzmann theory accounting for steric effects of microions, we prove analytically that the effective pair interactions between like-charge colloids immersed in a confined electrolyte are…
We present a theory for the equilibrium structure of polyelectrolyte solutions. The main element is a simple, new optimization scheme that allows theories such as the random phase approximation (RPA) to handle the harsh repulsive forces…
We studied theoretically the behavior of an injected electron-hole pair in crystalline polyethylene. Time-dependent adiabatic evolution by ab-initio molecular dynamics simulations show that the pair will become self-trapped in the perfect…
Exciton binding energy and electron-hole recombination probability are presented as the two important metrics for investigating effect of dot size on electron-hole interaction in CdSe quantum dots. Direct computation of electron-hole…
In acceptor doped ferroelectrics and in ferroelectric films and nanocomposites, defect dipoles, strain gradients, and the electric boundary conditions at interfaces and surfaces often impose internal bias fields. In this work we delicately…