Related papers: The Anisotropic Interface Continuum Solvation Mode…
We discuss the scalable parallel solution of the Poisson equation within a Particle-In-Cell (PIC) code for the simulation of electron beams in particle accelerators of irregular shape. The problem is discretized by Finite Differences.…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
Recently developed single-phase concentrated solid-solution alloys (CSAs) contain multiple elemental species in high concentrations with different elements randomly arranged on a crystalline lattice. These chemically disordered materials…
We present a theory that is able to account quantitatively for the surface and interfacial tensions of different electrolyte solutions. It is found that near the interface, ions can be separated into two classes: the kosmotropes and the…
Certain features of the method of characteristics are of considerable interest in relation with Vlasov simulation [H. Abbasi {\it et al}, Phys. Rev. E \textbf{84}, 036702 (2011)]. A Vlasov simulation scheme of this kind can be recurrence…
The paper presents a numerical study for the finite element method with anisotropic meshes. We compare the accuracy of the numerical solutions on quasi-uniform, isotropic, and anisotropic meshes for a test problem which combines several…
We introduce a diffuse interface model for the phenomenon of electrowetting on dielectric and present an analysis of the arising system of equations. Moreover, we study discretization techniques for the problem. The model takes into account…
Linear elastic fracture mechanics admit analytic solutions that have low regularity at crack tips. Current numerical methods for partial differential equations (PDEs) of this type suffer from the constraint of such low regularity, and fail…
We study discrete solvent effects on the interaction of two parallel charged surfaces in ionic aqueous solution. These effects are taken into account by adding a bilinear non-local term to the free energy of Poisson-Boltzmann theory. We…
The unique energy band and crystal structure of the layered type-II Weyl semimetal TaIrTe4 hold great promise for high-performance broadband anisotropic optoelectronic devices. Therefore, gaining an in-depth understanding of the…
We deal with a long-standing problem about how to design an energy-stable numerical scheme for solving the motion of a closed curve under {\sl anisotropic surface diffusion} with a general anisotropic surface energy $\gamma(\boldsymbol{n})$…
The dynamics of water in electrolyte solutions exhibits a striking, ion-specific anomaly: the diffusion coefficient of water is enhanced relative to the neat liquid in chaotropic CsI solutions, yet suppressed in kosmotropic NaCl solutions.…
By means of one-step model calculations the strong in-plane anisotropy seen in angle-resolved photoemission of the well-known iron pnictide prototype compounds BaFe$_2$As$_2$ and Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ in their low-temperature…
The simulation of certain flow problems requires a means for modeling a free fluid surface; examples being viscoelastic die swell or fluid sloshing in tanks. In a finite-element context, this type of problem can, among many other options,…
We consider a sharp interface formulation for an anisotropic multi-phase Mullins-Sekerka problem with kinetic undercooling. The flow is characterized by a cluster of surfaces evolving such that the total surface energy plus a weighted sum…
Dielectric metasurfaces supporting quasi-bound states in the continuum (quasi-BICs) exhibit very high quality factor resonances and electric field confinement. However, accessing the high-Q end of the quasi-BIC regime usually requires…
An accurate force calculation with the Poisson-Boltzmann equation is challenging, as it requires the electric field on the molecular surface. Here, we present a calculation of the electric field on the solute-solvent interface that is exact…
The determination of depth profiles across interfaces is of primary importance in many scientific and technological areas. Photoemission spectroscopy is in principle well suited for this purpose, yet a quantitative implementation for…
We use particle-in-cell (PIC) simulations of a collisionless, electron-ion plasma with a decreasing background magnetic field, $B$, to study the effect of velocity-space instabilities on the viscous heating and thermal conduction of the…
Resolving numerically Vlasov-Poisson equations for initially cold systems can be reduced to following the evolution of a three-dimensional sheet evolving in six-dimensional phase-space. We describe a public parallel numerical algorithm…