Article ID Journal Published Year Pages File Type
976140 Physica A: Statistical Mechanics and its Applications 2010 7 Pages PDF
Abstract

Suppose that, in the thermodynamic limit, a single-component particle system exhibits a standard first-order transition marked by a jump in the density, ρρ, at a chemical potential μσ(T)μσ(T). In grand canonical simulations of model fluids that realize such a transition when L→∞L→∞ (where LL is the linear dimension of the simulation volume) the presence of the transition is typically signaled by the appearance of a double-peaked structure in the distribution function, PN(T,μσ;L)PN(T,μσ;L), of the particle number, NN. A simple, explicit counterexample is presented, however, that proves, contrary to popular beliefs, that the converse proposition is false: i.e., a single-peaked   distribution, PN(T,μσ;L)PN(T,μσ;L), may, when L→∞L→∞, give rise to a first-order transition. Alternatively, the existence of a first-order transition does not imply a double-peaked distribution. Systems that may exhibit such single-peaked, first-order behavior are discussed and a possible route to constructing explicit models exhibiting the phenomenon is described. Strategies to use in simulating such systems are briefly considered in the light of related studies.

Related Topics
Physical Sciences and Engineering Mathematics Mathematical Physics
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