Abstract The calculation of the electron–phonon coupling from first principles is computationally very challenging and remains mostly out reach for systems with a large number atoms. Semi-empirical methods, like density functional tight binding (DFTB), provide framework obtaining quantitative results at moderate computational costs. Herein, we present new method based on DFTB approach computing...

The main focus of this paper is on efficiency analysis of two kinds of approximating functions (characteristic orthogonal polynomials and characteristic beam functions) that have been applied in the Rayleigh-Ritz method to determine the non-dimensional buckling and frequency parameters of an angle ply symmetric laminated composite plate with fully elastic boundaries. It has been observed that o...

A new volume tracking method is introduced for tracking interfaces in three-dimensional (3D) geometries partitioned with orthogonal hexahedra. The method approximates interface geometries as piecewise planar, and advects volumes in a single unsplit step using fully multidimensional fluxes that have their definition based in backward-trajectory remapping. By using multidimensional unsplit advect...

The architecture, interface, and functionality of the Windows Application Programming Interface (API) make it difficult to master and use effectively, and contribute negatively to the safety, robustness, and portability of the applications developed under it. The API is structured around a large and constantly evolving set of functions and is based on a problematic shared library implementation...

Data on the Semantic Web is semi-structured and does not follow one fixed schema. Faceted browsing [23] is a natural technique for navigating such data, partitioning the information space into orthogonal conceptual dimensions. Current faceted interfaces are manually constructed and have limited query expressiveness. We develop an expressive faceted interface for semi-structured data and formall...

The non-orthogonal boundary-fitted coordinate transformation method is applied to the solution of steady three-dimensional momentum and energy equations in laminar flow to obtain temperature field and Nusselt numbers in the thermal entry region of straight ducts of different cross sectional geometries. The conservation equations originally written in Cartesian coordinates are parabolized in the...

In this paper, we obtain the optimal number of interfaces/channels in wireless mesh networks by simulation. The simulation study is done in static multi-channel multi-interface environment. When many nodes use a single interface/channel, collisions of RTS/CTS result in network performance degradation. To avoid such degradation and reduce interference among adjacent nodes, use of multi-interface...