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Dynamic Monte Carlo method
About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.
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TL;DR: In this article, a new method for employed electron-electron (e-e) and electron-ion (ei) interactions in Monte Carlo particle based simulators is presented.
Abstract: A new method for employed electron-electron (e-e) and electron-ion (e-i) interactions in Monte Carlo particle based simulators is presented. By using a corrected Coulomb force in conjunction with a proper cutoff range, the "double" counting of the long range interaction is eliminated while reducing the simulation time for molecular dynamics by a factor of 1000. The proposed method naturally incorporated the multi-ion contributions, local distortions in the scattering potential due to the movement of the free charges, and carrier-density fluctuations. The doping dependence of the low-field mobility obtained from three-dimensional (3-D) resistor simulation closely follows experimental results, thus proving the correctness of the proposed approach.
105 citations
TL;DR: The techniques for calculation of the electronic structure of relatively large molecular systems with very high accuracy, from positron complexes to silicon crystal structures of 250 atoms and 1000 valence electrons are reviewed.
Abstract: Quantum Monte Carlo methods have recently made it possible to calculate the electronic structure of relatively large molecular systems with very high accuracy. These large systems range from positron complexes [NH2,Ps] with ∼10 electrons to C20 isomers with 120 electrons, to silicon crystal structures of 250 atoms and 1000 valence electrons. The techniques for such calculations and a sampling of applications are reviewed.
105 citations
TL;DR: In this article, a Monte Carlo technique is presented which can effectively be used for nonlinear response analysis of a structure subjected to a random pressure field undergoing large deflections, where the pressure field is idealized as a multidimensional Gaussian process with mean zero and homogeneous both in time and space.
Abstract: A Monte Carlo technique is presented which can effectively be used for nonlinear response analysis of a structure subjected to a random pressure field undergoing large deflections. The pressure field is idealized as a multidimensional Gaussian process with mean zero and homogeneous both in time and space. The response analysis is performed in the time domain by numerically simulating generalized forces rather than in the frequency domain. The solution satisfies the boundary conditions and the differential equation in a Galerkin sense. Two numerical examples involving large deflections of a string and a plate are worked out. The result indicates that the present method indeed provides a powerful tool in solving nonlinear structural response problems under random excitations.
105 citations
TL;DR: In this article, an exact relationship between the vibrational relaxation number (ZvDSMC) used in the direct simulation Monte Carlo method and that employed in continuum simulations was developed, where the translational temperature is larger than vibrational temperature.
Abstract: Exact relationship is developed that connects the vibrational relaxation number, ZvDSMC, used in the direct simulation Monte Carlo method and that employed in continuum simulations. An approximate expression for ZvDSMC is also derived that is cost-effective and applicable when translational temperature is larger than vibrational temperature.
105 citations
TL;DR: The mechanisms of adsorption and desorption in inkbottle-shaped pores are considered for lattice models using grand canonical mean field density functional theory and Monte Carlo simulation and it is found that they depend significantly on the particular pore geometry, the nature of the fluid-solid interaction, and the temperature.
Abstract: The mechanisms of adsorption and desorption in inkbottle-shaped pores are considered for lattice models using grand canonical mean field density functional theory and Monte Carlo simulation. We find that they depend significantly on the particular pore geometry, the nature of the fluid-solid interaction, and the temperature. We find two mechanisms for desorption. One mechanism involves the emptying of the main cavity even as the density of fluid in the necks remains high, a mechanism observed recently in studies of an off-lattice model of an inkbottle. The other is a simultaneous desorption from the entire pore space, behavior that is more closely related to the traditional picture of pore blocking in the inkbottle system.
104 citations