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Computer simulation of particles with position-dependent mass
Authors:Email author" target="_blank">Raffaello?PotestioEmail author
Institution:1.Max-Planck-Institut für Polymerforschung,Mainz,Germany
Abstract:In the present work a dynamical system is investigated, in which the particles’ mass depends on their position in space. The first case study is that of a single point-like particle in one dimension, whose Hamiltonian is numerically integrated with a first-order, energy-conserving algorithm; subsequently, the model is extended to a Lennard-Jones fluid in three dimensions. The features of both setups are examined, and a simple, exact method is devised to obtain, from a system of particles with position-dependent mass, the same equilibrium observables that would be measured in a conventional simulation. The properties of these dynamical systems are explored, with possible applications in the development of efficient sampling strategies.
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