相关论文: A method for calculating solvation structure on a …
The interfacial free energy between a crystal and a fluid, {\gamma} cf, is a highly relevant parameter in phenomena such as wetting or crystal nucleation and growth. Due to the difficulty of measuring {\gamma} cf experimentally, computer…
The Surface Green Function Matching analysis (SGFM) is used to study the normal modes of the interface oscillations between two non-mixed fluids by considering the difference in their densities and viscosities. The limiting case of…
The local work function of a surface determines the spatial decay of the charge density at the Fermi level normal to the surface. Here, we present a method that enables simultaneous measurements of local work function and tip-sample forces.…
We study the interaction between heterogeneously charged surfaces in an electrolyte solution by employing classical Density Functional Theory (cDFT) and Monte Carlo simulations. We observe a consistent behavior between cDFT and Monte Carlo…
We investigate the steady-state fluid--structure interaction between a Newtonian fluid flow and a deformable microtube in two novel geometric configurations arising in recent microfluidics experiments. The first configuration is a…
This dissertation is founded on the central notion that structural correlations in dense fluids, such as dense gases, liquids, and glasses, are directly related to fundamental interatomic forces. This relationship was identified early in…
This paper presents a new methodology for structural reliability analysis via stochastic finite element method (SFEM). A novel sample-based SFEM is firstly used to compute structural stochastic responses of all spatial points at the same…
A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…
A method to construct fractal surfaces by recurrent fractal curves is provided. First we construct fractal interpolation curves using a recurrent iterated functions system(RIFS) with function scaling factors and estimate their box-counting…
A spreadsheet algorithm is given for the atomic force microscope that accounts for non-linear behavior in the deflection of the cantilever and in the photo-diode response. In addition, the data analysis algorithm takes into account…
We study the time dependency of the (average) interfacial separation between an elastic solid with a flat surface and a rigid solid with a randomly rough surface, squeezed together in a fluid. We use an analytical theory describing the…
The force between two approaching solids in a liquid medium becomes increasingly large with decreasing separation, a phenomenon that prevents contact between the two solids. This growth in force occurs because of the intervening liquid,…
Transport properties of three-dimensional self-affine rough fractures are studied by means of an effective-medium analysis and numerical simulations using the Lattice-Boltzmann method. The numerical results show that the effective-medium…
We develop a theory of static friction by modeling the homogeneous surfaces of contact as being composed of a regular array of compressible elastic smooth microscopic inclines. Static friction is thought of as the resistance due to having…
Molecular density functional theory is a powerful technique for efficiently computing the spatially and orientationally dependent equilibrium density of a molecular solvent around an arbitrary solute. This density encodes the detailed…
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent…
This paper describes the results from a numerical estimation of the force exerted by long surface waves on a fixed and partially immersed rectangular structure. The topic is connected with the need of making decisions on the design,…
The earthquake-like model with a continuous distribution of static thresholds is used to describe the properties of solid friction. The evolution of the model is reduced to a master equation which can be solved analytically. This approach…
An important task in structural design is to quantify the structural performance of an object under the external forces it may experience during its use. The problem proves to be computationally very challenging as the external forces'…
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…