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Dynamical Simulations (dynamical + simulation)
Selected AbstractsPhotoinduced splitting of bipolarons in polymersPHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 13 2004Xiao Shen Abstract In conducting polymers, a polaron carries charge with spin and a bipolaron carries charge without spin. Hence, the polaron is a spin carrier but the bipolaron is not. Through a dynamical simulation, our study of photoinduced phenomena shows that, by absorbing a photon, a bipolaron is split into two polarons. This photoinduced splitting converts a charge carrier (bipolaron) into two spin carriers (polarons). (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Many-beam dynamical simulation for multilayer structures without a superlattice cellACTA CRYSTALLOGRAPHICA SECTION A, Issue 2 2009Masahiro Ohtsuka A many-beam dynamical theory for plan-view high-resolution transmission electron microscopy (HRTEM) images of multilayer systems without the limitation of a superlattice cell is proposed. The accuracy of our method is examined by comparing convergent-beam electron-diffraction calculations of Si(011) and HRTEM calculations of a system of epitaxial Al(100) on GaAs(100). Furthermore, this method is applied to CdSe clusters embedded in MgO, where it is revealed that the relative shift of their crystal-lattice planes produces moiré-like fringes. [source] Coupling electrical and mechanical effects in discrete element simulationsINTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 2 2008M. Renouf Abstract When investigating the electrical characteristics of granular assemblies under dynamical solicitations (powder, steel bead assemblies, etc.), it is difficult to distinguish between effects that are purely electrical and those that are strongly dependent on mechanical effects. Although numerous experimental works have permitted better understanding of the static electrical behaviour of such media, it is difficult to determine the effects control the multi-physical behaviour of the medium, especially under dynamical solicitations. In the present paper, numerical investigations of the electrical characteristics of granular material are proposed. Moreover, it presents the formulation of a new model, embedded in the general scheme of discrete element methods, that couples electrical and mechanical effects and takes into account the oxidation phenomenon. Numerical simulations on the basis of experimental works are performed to validate the model, and the results of dynamical simulations are discussed. Copyright © 2007 John Wiley & Sons, Ltd. [source] On the Einstein model for EXAFS parallel and perpendicular mean-square relative displacementsJOURNAL OF SYNCHROTRON RADIATION, Issue 5 2008A. Sanson The correlated Einstein model for EXAFS parallel and perpendicular mean-square relative displacements (MSRDs) is discussed. By means of dynamical simulations on different crystalline structures, the error owing to the Einstein-fit model on the EXAFS MSRDs is estimated as a function of the standard deviation of the density of vibrational states. This error should be taken into account to improve the accuracy of the MSRDs. [source] MICROMECHANICS: SIMULATING THE ELASTIC BEHAVIOR OF ONION EPIDERMIS TISSUEJOURNAL OF TEXTURE STUDIES, Issue 1 2006JIMMY LOODTS ABSTRACT A generic modeling approach is introduced that allows for dynamical simulations of cellular biological tissue. It is derived from the discrete element approach in the sense that the tissue is discretized such that histological aspects like cell geometry and the cellular arrangement within the tissue can be fully incorporated into the model. This makes dynamical simulations of arbitrarily shaped cellular tissues feasible in an elegant and a robust way. The validity of this simulation technique is demonstrated by a case study on the unicellular epidermis layer of onion (Allium cepa). The parameters of a two-dimensional model are determined using published stress,strain data from a tension test on longitudinal strips. The model is then validated quantitatively against the data for transversal strips. [source] Diffuse continuum transfer in H ii regionsMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 1 2009R. J. R. Williams ABSTRACT We compare the accuracy of various methods for determining the transfer of the diffuse Lyman continuum in H ii regions by comparing them with a high-resolution discrete-ordinate integration. We use these results to suggest how, in multidimensional dynamical simulations, the diffuse field may be treated with acceptable accuracy without requiring detailed transport solutions. The angular distribution of the diffuse field derived from the numerical integration provides insight into the likely effects of the diffuse field for various material distributions. [source] Behavior of phonons in short period GaN-AlN superlatticesPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 11 2004C. Pinquier Abstract This work deals with short period GaN-AlN superlattices, studied by Raman spectroscopy using visible and ultraviolet excitations. The E2 (high) and E1(TO) phonons show a two-mode behavior. In contrast, we observed an unique spectral line in the A1(TO) spectrum: its dependence on the mean superlattice composition is in good agreement with recent theoretical results predicting its delocalized character. Two Raman lines strongly enhanced under ultraviolet excitations, were observed in the A1(LO) spectrum. Lattice dynamical simulations within the Rigid Ion Model have been performed to assign these Raman lines. The first one corresponds to an A1(LO) phonon confined in GaN wells. The second line is assigned to a dispersive B1 - like mode with an amplitude modulation similar to that of an interface mode. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] | |||||||||||||