Computer simulation of particles with position-dependent mass
Max-Planck-Institut für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany
Received: 18 May 2014
Received in final form: 26 August 2014
Published online: 22 October 2014
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.
Key words: Computational Methods
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2014