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2014
Journal of Computational Physics, 2018
Powder Technology, 2010
Bulletin of the Kharkiv National Automobile and Highway University, 2018
Goal. The objective of this work is to propose a model that allows one to obtain velocity and direction of spherical hard-bodies after a collision, using Molecular Dynamics (MD) methods. Molecular simulations are employed to compute the properties and predict behaviors of solids, liquids and gases; the consideration of collisions between particles is fundamental, since they represent a change of energy in the system. Collisions are also associated with a wide range of applications such as robotics, car traffic safety, videogames, materials science, colloids, among others; some of them can be interpreted as elastic collisions between hard-spheres. Problem. Some algorithms of MD use periodic boundaries, in which the particles can move, instead of a restricted space. However, more realistic applications require algorithms to model collisions in closed spaces. Originality. Equations to model the collision in restricted spaces were developed to obtain the velocities of the spheres that collide with the wall(s) of the container; these formulas are valid when the walls are straight, for example in cylinders and cubes. Methodology. A simulation of a hard-sphere system in a cylinder was developed using the fundamentals of MD and the proposed equations to model collisions, in MATLAB. Properties of the system were computed: the atomic packing fraction (APF), which represents the space occupied by atoms in the container; and the equilibrium structure was characterized by the radial distribution function g(r) (RDF), which is proportional to the probability of finding two atoms separated by the distance r + r. Results. The APF of the system was 0.2%, and the frequency of collisions in the equilibrium stage was 2.2810×10 3 Hz, while in the production stage was 1.3995×10 5 Hz. Practical value-This model can be used not only for atoms/molecules that collide, but also for some rigid bodies. In a future work, particle collisions in irregular-shape containers will be modeled since in real systems, the channels are constricted spaces.
2021
Micro-electromechanical systems (MEMS) have developed rapidly in recent years in various technical fields that have increased their interest in the Direct Simulation Monte Carlo (DSMC) method. In this paper, we present a simple representation of the DSMC collision scheme and investigate the correctness of the Simplified Bernoulli Trial (SBT) collision scheme for the calculation of two-dimensional flows. The first part of the collision scheme, which determines collision pairs, is presented following the derivation of the expression for the mean free path and using the cumulative distribution function. Approaches and conclusions based on one-dimensional flows are not always directly applicable to two- and three-dimensional flows. We investigated SBT correctness by using the two-dimensional pressure-driven gas flow of monoatomic gas as a test case. We studied the influence of shuffling of the list of particles per cell (PPC) before the collision scheme’s execution, as well as the minim...
2015
Graeme Bird developed the Direct Simulation of Monte Carlo (DSMC) in the 1960s, and nowadays this method has gained popularity in simulation of rarefied gas dynamics and micro gas flow problems. In addition to the requirement of employing multidimensional computational mesh, the DSMC method uses a finite set of particles or simulators, denoted by their positions and velocities, to model the advection and collision terms of the Boltzmann equation. The requirement of these large computational resources have been a prohibitive barrier in the DSMC analysis of massive computational twoand three-dimensional problems in rarefied gas dynamics. This work is dedicated to review some recent advancements in reducing the DSMC computational requirements by using Kac model -based collision schemes in the Direct Simulation of Monte Carlo. In general, two major concepts exist for obtaining collision schemes, and here we focus our attention to the one based on the Kac stochastic model. The common adv...
Selecciones Matemáticas, 2019
Journal of Computational Electronics, 2006
Folklor/Edebiyat, 2024
Erasmus journal for philosophy and economics, 2015
International Materials Reviews, 2020
Γλώσσης χάριν, 2008
MA Thesis submitted to the Institute of Archaeology, The Hebrew University, Jerusalem, 2022
Τετράδια Διεθνούς Δικαίου και Διεθνούς Πολιτικής, 10, Ιούνιος 2024, 193-203, Ι. Σιδέρης, 2024
Betania Editrice, 2005
Environmental Science & Technology, 2012
Environmental Toxicology and Chemistry, 2007
Cadernos Metrópole, 2024
Histoire urbaine, 2004
Revista Chilena de Derecho y Ciencia Politica, 2024
Tropical Grasslands-Forrajes Tropicales, 2017
1964
Materials Focus, 2018