Thermodynamic states of nanoclusters at low pressure and low temperature: the case of 13 H(2).

A confinement model of finite-size systems that embodies an equation of state is presented. The temperature and pressure of the system are obtained from the positions and velocities of the enclosed particles after a number of molecular dynamics simulations. The pressure has static and dynamic (thermal) contributions, extending the Mie-Grüneisen equation of… CONTINUE READING