- Published 2011 in The journal of physical chemistry. A
DOI:10.1021/jp204372k

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

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