Event-Driven Dynamics of Rigid Bodies Interacting via Discretized Potentials

TL;DR

This paper introduces an event-driven simulation framework for rigid bodies with discretized potentials, enabling efficient modeling of systems where interaction energies change at specific events based on underlying continuous potentials.

Contribution

The paper presents a novel event-driven simulation method for rigid bodies with discretized potentials, linking discrete energy changes to underlying continuous potentials for improved efficiency.

Findings

Efficient algorithms for computing interaction event times.

Successful simulation of rigid rods with orientation-dependent terraced potentials.

Framework applicable to systems with discrete energy states based on continuous potentials.

Abstract

A framework for performing event-driven, adaptive time step simulations of systems of rigid bodies interacting under stepped or terraced potentials in which the potential energy is only allowed to have discrete values is outlined. The scheme is based on a discretization of an underlying continuous potential that effectively determines the times at which interaction energies change. As in most event-driven approaches, the method consists of specifying a means of computing the free motion, evaluating the times at which interactions occur, and determining the consequences of interactions on subsequent motion for the terraced-potential. The latter two aspects are shown to be simply expressible in terms of the underlying smooth potential. Within this context, algorithms for computing the times of interaction events and carrying out efficient event-driven simulations are discussed. The method is illustrated on system composed of rigid rods in which the constituents interact via a terraced potential that depends on the relative orientations of the rods.