© 2018 IOP Publishing Ltd. A general mathematical expression to estimate the temperature in computer simulations of constrained systems is obtained. Using a recently derived theorem which relates the ensemble average of ...

We analyze the importance of nonperturbative field configurations for phase transitions in field theory at finite temperatures. We show, by analyzing different approaches used to investigate this problem, that some of these ...

An estimator for the dynamical temperature in an arbitrary ensemble is derived in the framework of the conjugate variables theorem. We prove directly that its average indeed gives the inverse temperature and that it is ...

The configurational entropy per site of a lattice gas model with non-additive interactions between adsorbed particles for square, triangular and honeycomb lattices is discussed in the present study. The model used here ...

Free energies of Rh-Pd alloys as functions of both temperature and composition are calculated using quasiharmonic lattice dynamics. The free energy of the disordered solid is determined from an ensemble of a large number ...