The Use of Control Quantities in Computer Simulation Experiments: Application to the Exp-6 Potential Fluid

Abstract

Important quantities, which should be computed in the course of computer experiments in order to maintain the control over the development of the studied system, are summarized and their properties are discussed. The usefulness of these quantities is demonstrated by reference to published data for the exp-6 potential model. The ease with which it is possible to confuse solid and liquid states is illustrated.