We propose a method for the theoretical investigation of polymer translocation through composite pore structures possessing arbitrarily specified geometries. The proposed method accounts for possible reverse chain motions at the interface between the constituent parts of a composite pore. As an illustration of our method, we study polymer translocation between two spherical compartments connect...

The surrounding world surprises us by the beauty and variety of complex shapes that emerge from nanometric to macroscopic scales. Natural or manufactured materials (sandstones, sedimentary rocks and cement), colloidal solutions (proteins and DNA), biological cells, tissues and organs (lungs, kidneys and placenta), they all present irregularly shaped “scenes” for a fundamental transport “perform...

This paper presents a meshing algorithm for domains with internal boundaries. It is an extension of the gridding algorithm presented by Persson and Strang. The resulting triangulation matches all boundaries, and the triangles are all nearly equilateral. Equilateral triangles are beneficial for a finite volume discretization, as fluid flow between elements of very different size is only possible...

In this paper, two-dimensional turbulent flows in different and complex geometries are simulated by using an accurate grid generation method. In order to analyze the fluid flow, numerical solution of the continuity and Navier-Stokes equations are solved using CFD techniques. Considering the complexity of the physical geometry, conformal mapping is used to generate an orthogonal grid by means of...

We calculate relations on characteristic classes which are obstructions preventing closed Kähler manifolds from carrying holomorphic Cartan geometries. We apply these relations to give global constraints on the phase spaces of complex analytic determined and underdetermined systems of differential equations.

The origins, scope and utility of compilations of metal-ligand and intraligand bond lengths based on the Cambridge Structural Database are discussed. The limitations on the apparent uncertainty of metal-ligand bond lengths derived from crystallographic data and recent evidence of metal-assisted hydrogen bonding involving ligands are reviewed in the light of the transferability of bond-length va...

An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...