Related papers: Density Estimation Techniques for Multiscale Coupl…
We assess the dielectrically consistent reference interaction site model (DRISM) as an implicit electrolyte framework for modeling the electrochemical double layer, and compare it with the Poisson-Boltzmann model and explicit molecular…
We introduce a simplified model of the electron-beam/plasma system to model the electrical breakdown caused by the inductive electric field created by a rapidly rising electron beam current. The rigid-beam model is a reduction to the…
Application of the ion sphere model (ISM), well known in the context of the one-component-plasma, to estimate thermodynamic properties of model Yukawa systems is discussed. It is shown that the ISM approximation provides fairly good…
A molecular-dynamics type simulation method, which is suitable for investigating the dewetting dynamics of thin and viscous liquid layers, is discussed. The efficiency of the method is exemplified by studying a two-parameter depinning-like…
We study a classical system of identically charged counter-ions near a planar wall carrying a uniform surface charge density. The equilibrium statistical mechanics of the system depends on a single dimensionless coupling parameter. A new…
Using many-body techniques we obtain the time-dependent Gaussian approximation for interacting fermion-scalar field models. This method is applied to an uniform system of relativistic spin-1/2 fermion field coupled, through a Yukawa term,…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
We study the asymptotic long-range behavior of the time-dependent correlation function of the surface charge density induced on the interface between two media of distinct dielectric functions which are in thermal equilibrium with one…
Capturing the interaction between objects that have an extreme difference in Young s modulus or geometrical scale is a highly challenging topic for numerical simulation. One of the fundamental questions is how to build an accurate…
A fundamental step in the rational design of vascular targeted particles is the firm adhesion at the blood vessel walls. Here, a combined Lattice Boltzmann Immersed Boundary model is presented for predicting the near wall dynamics of…
A precise calculation that translates shifts of X-ray K-absorption edges to variations of thermodynamic properties allows quantitative characterization of interior thermodynamic properties of warm dense plasmas by X-ray absorption…
In the present paper, we propose a variational average-atom model of electron-ion plasma performing a quantum treatment of bound electrons and accounting for correlations (VAAQBEC). This model addresses the correlation functions in a…
Continuum or hybrid modeling of bilayer membrane morphological dynamics induced by embedded proteins necessitates the identification of protein-membrane interfaces and coupling of deformations of two surfaces. In this article we developed…
We present the Multi-Particle-Collision (MPC) dynamics approach to simulate properties of low-dimensional systems. In particular, we illustrate the method for a simple model: a one-dimensional gas of point particles interacting through…
In this paper we consider a coupled bulk-surface PDE in two space dimensions. The model consists of a PDE in the bulk that is coupled to another PDE on the surface through general nonlinear boundary conditions. For such a system we propose…
A surface integral representation of Maxwell's equations allows the efficient electromagnetic (EM) modeling of three-dimensional structures with a two-dimensional discretization, via the boundary element method (BEM). However, existing BEM…
A phase-field approach is proposed for interface failure between two possibly dissimilar materials. The discrete adhesive interface is regularised over a finite width. Due to the use of a regularised crack model for the bulk material, an…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
Kinetic simulations of collisionless plasmas are computationally challenging due to phase space mixing and filamentation, resulting in fine-scale velocity structures. This study compares three methods developed to reduce artifacts related…
Metasurfaces based on gap surface-plasmon resonators allow one to arbitrarily control the phase, amplitude and polarization of reflected light with high efficiency. However, the performance of densely-packed metasurfaces is reduced, often…