相关论文: Effect of Counterion Size on Polyelectrolyte Confo…
Polymer electrolytes typically exhibit diminished ionic conductivity due to the presence of correlation effects between the cations and anions. Microscopically, transient ionic aggregates, e.g. {\it ion-pairs}, {\it ion-triplets} or higher…
A previously developed field-theoretic model [R.D. Coalson et al., J. Chem. Phys. 102, 4584 (1995)] that treats core collisions and Coulomb interactions on the same footing is investigated in order to understand ion size effects on the…
Understanding the behavior of charged complex fluids is crucial for a plethora of important industrial, technological, and medical applications. Using coarse-grained molecular dynamics simulations, here we investigate the properties of a…
The electrophoretic behaviour of flexible polyelectrolyte chains ranging from single monomers up to long fragments of hundred repeat units is studied by a mesoscopic simulation approach. Abstracting from the atomistic details of the…
The number of configurations of a polymer is reduced in the presence of a barrier or an obstacle. The resulting loss of entropy adds a repulsive component to other forces generated by interaction potentials. When the obstructions are scale…
We analyze electron-phonon correlation functions measured in 1D polaron ground states of the Holstein Hamiltonian using the Global-Local variational method. The spatial collapse of electron-phonon correlations is found to occur in concert…
The effective elasticity of highly charged stiff polyelectrolytes is studied in the presence of counterions, with and without added salt. The rigid polymer conformations may become unstable due to an effective attraction induced by…
We study the behavior of single linear polyelectrolytes condensed by trivalent salt under the action of electric fields through computer simulations. The chain is unfolded when the strength of the electric field is stronger than a critical…
This work examines the impact of energy over-minimization on an ensemble of biological molecules subjected to the potential energy minimization procedure in vacuum. In the studied structures, long potential energy minimization stage leads…
Electroactive polymers (EAP) are smart materials that can be used as actuators, sensors or energy harvesters in many fields. We had previously studied an ionic metal-polymer composites (IPMC), which consists in an ionic polymer film such as…
The classical Debye-Huckel (DH) theory clearly accounts for the origin of screening in electrolyte solutions and works rather well for dilute electrolyte solutions. While the Debye screening length decreases with the ion concentration and…
We holographically study the finite-size scaling effects on macroscopic and microscopic quantum correlations deformed by excitation and condensation. The excitation (condensation) increases (decreases) the entanglement entropy of the…
Due to the strong correlations between multivalent counterions condensed on a macroion, the net macroion charge changes sign at some critical counterion concentration. This effect is known as the charge inversion. Near this critical…
This paper focuses on size effects in periodic mechanical metamaterials driven by reversible pattern transformations due to local elastic buckling instabilities in their microstructure. Two distinct loading cases are studied: compression…
Monte Carlo simulations are used to study the conformational properties of a folded semiflexible polymer confined to a long channel. We measure the variation in the conformational free energy with respect to the end-to-end distance of the…
We relate the asymmetries in the charged pions energy in the decay into $\pi^+\pi^-\pi^0$ of $K_L$ and of the tagged neutral kaons. The former asymmetry is a given combination of $\Re(\epsilon)$, $\Im(\epsilon)$, and $|\epsilon'|$.…
We investigated the complexation of thermoresponsive anionic poly(N-isopropylacrylamide) (PNiPAM) microgels and cationic $\epsilon$-polylysine ($\epsilon$-PLL) chains. By combining electrophoresis, light scattering, transmission electron…
The effect of the finite system size on the QCD phase diagram was studied with various momentum space constraints within a mean-field quark-meson model. On the one hand side, the choice of the scenario -- low-momentum cutoff and…
The correlation energy of the homogeneous three-dimensional interacting electron gas is calculated using the variational and fixed-node diffusion Monte Carlo methods, with trial functions that include backflow and three-body correlations.…
Implying perturbation theory, the impact of the dipole dipole interaction (DDI) on the thermodynamic properties of a homogeneous electron gas at zero temperature is investigated. Through the second quantization formalism, the analytic…