Search results for "Method"
showing 10 items of 13253 documents
Finite element analysis of stress concentration between surface coated implants and non surface coated implants - An in vitro study.
2019
Background To determine qualitative comparison in stress distribution between surface coated implants and non surface coated implants using 2 different lengths and vertical, oblique, and lateral forces. Material and Methods 3 dimensional finite element study was carried out at first molar site with 4 surface coated and 4 non surface coated implants using mimic 8.11, solid edge 2004, hypermesh 9.0, and ansys12.1 software. Results The pattern of stress distribution was almost similar between vertical and oblique loading but varied with lateral loads between surface coated and non surface coated implants. As the length of the implants increased stress concentration had no significant variation…
Acoustic Wave Behavior in a Specimen Containing an Air Void Defect
2019
The PEA method is the most used technique for the space charge measurements. As is well known, this method uses pressure waves to detect the charges accumulated in solid dielectrics. Based on its working principle, the generated acoustic waves travel within PEA cell and the specimen under test in order to be finally detected by the piezoelectric sensor. For a multilayer specimen and, in particular, in case of different materials that make up the specimen, the acoustic wave reflection is inevitable. Considering that, in several cases, the reflected waves could be detected by the piezoelectric sensor before than the main signals, the PEA cell output profile could results distorted. Based on t…
Simulation of IQE tuning of individual cells for DC-balancing multijunction tandem cells
2016
In the present work, the performance of stacks of cells connected in series is examined at different levels of internal quantum efficiency (IQE). Incident photons, generated by employing the ASTM G173-03 data set, are accounted for individually as they interact with the stack of cells. The efficiencies of the devices studied are dependent upon the DC balance throughout the stack of cells. It is demonstrated that reducing the internal quantum efficiency of upper cells can lead to a better DC balance and thereby higher efficiency.
Simulations of the effect of the contact energy levels on a simple model of a hot carrier cell
2016
In the present work, the performance of a simplified model of a hot carrier cell is examined at different energy levels of carrier collection. Incident photons, Monte Carlo generated by employing the ASTM G173-03 data set, are accounted for individually as they interact with the cell. It is assumed that the carriers can be collected ultra-fast, thus avoiding considering hot carrier thermalisation effects. Although the model is preliminary and lacking some mechanisms of hot carrier cells, it has been demonstrated that the present approach to modelling hot carrier solar cells can be developed into fully working models. Some effects of the absorption energy levels in the valence band have been…
Computer-aided analysis and design procedure for rotating induction machine magnetic circuits and windings
2018
The aim of this study is to present a new, accurate, and user-friendly software procedure for the analysis and rapid design of rotating induction machine windings, considering both the electric and the magnetic specifications of the machine itself. This procedure is a valid aid for quick first stage design without the necessity of using finite element method (FEM)-based design procedures. FEM can be used in a second design phase in order to refine the first stage results. The design procedure is hereafter outlined and some examples show its capability.
On the ‘expanded local mode’ approach applied to the methane molecule: isotopic substitution CH2D2←CH4
2011
On the basis of a compilation of the ‘expanded local mode’ model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, ωλ, anharmonic coefficients, x λμ, ro-vibrational coefficients, , different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have a very good…
Towards highly accurate ab initio thermochemistry of larger systems: benzene.
2011
The high accuracy extrapolated ab initio thermochemistry (HEAT) protocol is applied to compute the total atomization energy (TAE) and the heat of formation of benzene. Large-scale coupled-cluster calculations with more than 1500 basis functions and 42 correlated electrons as well as zero-point energies based on full cubic and (semi)diagonal quartic force fields obtained with the coupled-cluster singles and doubles with perturbative treatment of the triples method and atomic natural orbital (ANO) triple- and quadruple-zeta basis sets are presented. The performance of modifications to the HEAT scheme and the scaling properties of its contributions with respect to the system size are investiga…
The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review
2015
The accurate estimation of the excess free energy due to an interface between coexisting phases of a model system by computer simulation often is a challenging task. We review here two methods, whi...
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
2017
Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …
Approximate treatment of higher excitations in coupled-cluster theory. II. Extension to general single-determinant reference functions and improved a…
2008
The theory and implementation of approximate coupled-cluster (CC), in particular approximate CC singles, doubles, triples, and quadruples methods, are discussed for general single-determinant reference functions. While the extension of iterative approximate models to the non-Hartree-Fock case is straightforward, the generalization of perturbative approaches is not trivial. In contrast to the corresponding perturbative triples methods, there are additional terms required for non-Hartree-Fock reference functions, and there are several possibilities to derive approximations to these terms. As it turns out impossible to develop an approach that is consistent with the canonical Hartree-Fock-base…