相关论文: Effect of proximity to ionic liquid-solvent demixi…
Ions in ionic liquids and concentrated electrolytes reside in a crowded, strongly-interacting environment, leading to the formation of discrete layers of charges at interfaces. Here, we propose a continuum theory that captures the…
We use a phase-separated driven two-dimensional Ising lattice gas to study fluid interfaces exposed to shear flow parallel to the interface. The interface is stabilized by two parallel walls with opposing surface fields and a driving field…
We study the effect of coupling an electronic reservoir to a Hubbard model and to a Dimer Hubbard Model. This is motivated by recent experiments on the effect of illumination on the insulator-metal transition in a vanadium oxides and…
The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of their modulated phases. In this paper we present a systematic simulation methodology for studying…
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscillations in the electronic charge density at the free surface…
In this work, we study and evaluate the impact of a periodic spin-lattice coupling in an Ising-like system on a 2D triangular lattice. Our proposed simple Hamiltonian considers this additional interaction as an effect of preferential phonon…
We present an efficient method for simulating Coulomb systems confined by metal electrodes. The approach relies on Green functions techniques to obtain the electrostatic potential for an infinite periodically replicated system. This avoids…
Tasker type III polar terminations of ionic crystals carry a net surface charge as well as a dipole moment and are fundamentally unstable. In contact with electrolytes, such polar surfaces can be stabilized by adsorption of counter ions…
The phase behavior of a single type of colloid C suspended in near-critical solvents is known to be very rich. Motivated in part by recent experiments we consider a mixture of two colloidal types C1 and C2 in a binary solvent close to its…
The model of two electrons with Coulomb interaction on a two-dimensional (2D) disordered lattice is considered. It is shown that the interaction can give a sharp transition to delocalized states in a way similar to the Anderson transition…
Binary magnetic square lattice Ising system with nearest neighbour interactions were simulated using the Monte Carlo technique. Two types of ions were randomly distributed on the lattice sites, one type interacting ferromagnetic and the…
We report a computer simulation study of a model gel-former obtained by modifying the three-body interactions of the Stillinger-Weber potential for silicon. This modification reduces the average coordination number and consequently shifts…
In this paper, we investigate the consequences of ion association, coupled with the considerations of finite size effects and orientational ordering of Bjerrum pairs as well as ions and water molecules, on electric double layer near charged…
We investigate the dynamics of close-contact melting (CCM) on gas-trapped hydrophobic surfaces, with specific focus on the effects of geometrical confinement and the liquid-air meniscus below the liquid film. By employing dual-series and…
Deep eutectic solvents with admixed lithium salts are considered as electrolytes in electrochemical devices like batteries or supercapacitors. Compared to eutectic mixtures of hydrogen-bond donors and lithium salts, their raw-material costs…
Climate emergency has led to the investigation of CO$_{2}$ valorization routes. A competitive process included in this framework is the catalytic CO$_{2}$ cycloaddition to epoxides, to produce cyclic carbonates. Halide-based Ionic liquids…
The correlation functions of an ionic fluid with charge and size asymmetry are studied within the framework of the random phase approximation. The results obtained for the charge-charge correlation function demonstrate that the…
A relation between O(n) lattice spin models and Ising models defined on the same lattice was recently put forward [L. Casetti, C. Nardini, and R. Nerattini, Phys. Rev. Lett. 106, 057208 (2011)]. Such a relation, inspired by an energy…
A formalism based on the fermionic functional-renormalization-group approach to interacting electron models defined on a lattice is presented. One-loop flow equations for the coupling constants and susceptibilities in the particle-particle…
The ions produced via collisional ionization of the residual gas molecules in vacuum pipe with the circulating electron beam have deleterious effect on the beam properties and may become a limiting factor for the machine's performance. For…