No Arabic abstract
A binary mixture of oppositely charged components confined to a plane such as cationic and anionic lipid bilayers may exhibit local segregation. The relative strength of the net short range interactions, which favors macroscopic segregation, and the long range electrostatic interactions, which favors mixing, determines the length scale of the finite size or microphase segregation. The free energy of the system can be examined analytically in two separate regimes, when considering small density fluctuations at high temperatures, and when considering the periodic ordering of the system at low temperatures (F. J. Solis and M. Olvera de la Cruz, J. Chem. Phys. 122, 054905 (2000)). A simple Molecular Dynamics simulation of oppositely charged monomers, interacting with a short range Lennard Jones potential and confined to a two dimensional plane, is examined at different strengths of short and long range interactions. The system exhibits well-defined domains that can be characterized by their periodic length-scale as well as the orientational ordering of their interfaces. By adding salt, the ordering of the domains disappears and the mixture macroscopically phase segregates in agreement with analytical predictions.
Electrostatics plays a key role in biomolecular assembly. Oppositely charged biomolecules, for instance, can co-assembled into functional units, such as DNA and histone proteins into nucleosomes and actin-binding protein complexes into cytoskeleton components, at appropriate ionic conditions. These cationic-anionic co-assemblies often have surface charge heterogeneities that result from the delicate balance between electrostatics and packing constraints. Despite their importance, the precise role of surface charge heterogeneities in the organization of cationic-anionic co-assemblies is not well understood. We show here that co-assemblies with charge heterogeneities strongly interact through polarization of the domains. We find that this leads to symmetry breaking, which is important for functional capabilities, and structural changes, which is crucial in the organization of co-assemblies. We determine the range and strength of the attraction as a function of the competition between the steric and hydrophobic constraints and electrostatic interactions.
Charged pattern formation on the surfaces of self--assembled cylindrical micelles formed from oppositely charged heterogeneous molecules such as cationic and anionic peptide amphiphiles is investigated. The net incompatibility $chi$ among different components results in the formation of segregated domains, whose growth is inhibited by electrostatics. The transition to striped phases proceeds through an intermediate structure governed by fluctuations, followed by states with various lamellar orientations, which depend on cylinder radius $R_c$ and $chi$. We analyze the specific heat, susceptibility $S(q^*)$, domain size $Lambda=2pi/q^*$ and morphology as a function of $R_c$ and $chi$.
The zero-temperature phase diagram of binary mixtures of particles interacting via a screened Coulomb pair potential is calculated as a function of composition and charge ratio. The potential energy obtained by a Lekner summation is minimized among a variety of candidate two-dimensional crystals. A wealth of different stable crystal structures is identified including $A,B,AB_2, A_2B, AB_4$ structures [$A$ $(B)$ particles correspond to large (small) charge.] Their elementary cells consist of triangular, square or rhombic lattices of the $A$ particles with a basis comprising various structures of $A$ and $B$ particles. For small charge asymmetry there are no intermediate crystals besides the pure $A$ and $B$ triangular crystals.
We study the quantum many-body ground states of electrons on the half-filled honeycomb lattice with short- and long-ranged density-density interactions as a model for graphene. To this end, we employ the recently developed truncated-unity functional renormalization group (TU-fRG) approach which allows for a high resolution of the interaction vertex wavevector dependence. We connect to previous lattice quantum Monte Carlo (QMC) results which predict a stabilization of the semimetallic phase for realistic emph{ab initio} interaction parameters and confirm that the application of a finite biaxial strain can induce a quantum phase transition towards an ordered ground state. In contrast to lattice QMC simulations, the TU-fRG is not limited in the choice of tight-binding and interaction parameters to avoid the occurrence of a sign problem. Therefore, we also investigate a range of parameters relevant to the realistic graphene material which are not accessible by numerically exact methods. Although a plethora of charge density waves arise under medium-range interactions, we find the antiferromagnetic spin-density wave to be the prevailing instability for long-range interactions. We further explore the impact of an extended tight-binding Hamiltonian with second-nearest neighbor hopping and a finite chemical potential for a more accurate description of the band structure of graphenes $p_z$ electrons.
The use of a nearby metallic ground-plane to limit the range of the Coulomb interactions between carriers is a useful approach in studying the physics of two-dimensional (2D) systems. This approach has been used to study Wigner crystallization of electrons on the surface of liquid helium, and most recently, the insulating and metallic states of semiconductor-based two-dimensional systems. In this paper, we perform calculations of the screening effect of one 2D system on another and show that a 2D system is at least as effective as a metal in screening Coulomb interactions. We also show that the recent observation of the reduced effect of the ground-plane when the 2D system is in the metallic regime is due to intralayer screening.