相关论文: Equilibrium solvation in quadrupolar solvents

Continuum solvation models enable electronic structure calculations of systems in liquid environments, but because of the large number of empirical parameters, they are limited to the class of systems in their fit set (typically organic…

Solitons, defined as nonlinear waves which can reflect from boundaries or transmit through each other, are found in conservative, fully integrable systems. Similar phenomena, dubbed quasi-solitons, have been observed also in dissipative,…

We study the convergence of bound-state quadrupole moments in finite harmonic oscillator spaces. We derive an expression for the infrared extrapolation for the quadrupole moment of a nucleus and benchmark our results using different model…

We address some properties of the quadrupole-quadrupole ($Q \cdot Q$) interaction in nuclear studies. We first consider how to restore $SU(3)$ symmetry even though we use only coordinate and not momentum terms. Using the Hamiltonian…

We show results of Monte Carlo simulations of an array of monodispersed magnetic monodomain particles, in a square lattice with dipolar interactions and perpendicular uniaxial anisotropy. We first show the equilibrium phase diagram of the…

Previous numerical studies have revealed the existence of embedded solitons (ESs) in a class of multi-wave systems with quadratic nonlinearity, families of which seem to emerge from a critical point in the parameter space, where the zero…

Inspired by the design for the simple Columbia Non-neutral Torus (CNT) proposed by Pedersen and Boozer (Phys. Rev. Lett. 88 205002(2002)), and later revisited by Yu et al. (J. Plasma Phys. 88 905880306 (2022)), this work explores…

The classical two-dimensional one-component plasma is an exactly solvable model, at some special temperature, even when the one-body potential acting on the particles has a quadrupolar term. As a supplement to a recent work of Di Francesco,…

Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations with diatomic and benzenelike molecules employed as probe…

Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…

The dynamics of "dipolar particles", i.e. particles endowed with a four-vector mass dipole moment, is investigated using an action principle in general relativity. The action is a specific functional of the particle's world line, and of the…

A recent experiment driving colloids electromagnetically, by B\'erut et al. [2014 Europhys. Lett. 107, 60004], is an ideal paradigm for illustrating a linear response theory for nonequilibrium overdamped systems including hydrodynamic…

In nuclear-spin-polarization-induced quantum dots the electrons are confined through local nuclear spin polarization. The model electron confinement potential is time-dependent due to the nuclear spin diffusion and relaxation processes. It…

We calculate the electromagnetic form factors of a bound proton. The Chiral Quark-Soliton model provides the quark and antiquark substructure of the proton, which is embedded in nuclear matter. This procedure yields significant…

In this paper within a field-theoretical approach taking into account explicitly a co-solvent with a nonzero dipole and a polarizability tensor, we derive a modified Poisson-Boltzmann equation. Applying the modified Poisson-Boltzmann…

The energy-momentum tensor form factors contain a wealth of information about the nucleon. It is insightful to visualize this information in terms of 3D or 2D densities related by Fourier transformations to the form factors. The densities…

A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed variational implicit solvent model (Dzubiella, Swanson, and McCammon, Phys. Rev. Lett. {\bf 104},…

Monte Carlo computer simulations are used to study transient cavities and the solvation of hard-spheroid solutes in dipolar hard sphere solvents. The probability distribution of spheroidal cavities in the solvent is shown to be well…

Effective pair interactions with a soft-repulsive component are a well-known feature of polymer solutions and colloidal suspensions, but they also provide a key to interpret the high-pressure behaviour of simple elements. We have computed…

Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…