Now showing items 1-3 of 3

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      Isothermal molecular-dynamics calculations  [Article]

      Rull Fernández, Luis Felipe; Morales, Juan J.; Cuadros, Francisco (American Institute of Physics Publising LLC, 1985)
      We have performed long-time runs of molecular-dynamics computer simulations of a two-dimensional Lennard-Jones system, without any scaling procedure. The thermodynamic properties show spontaneous fluctuations except when ...
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      Molecular-dynamics ensembles: Fluctuations and correlations near the phase transitions  [Article]

      Morales, Juan J.; Nuevo, María J.; Rull Fernández, Luis Felipe (American Institute of Physics Publising LLC, 1993)
      Computer simulations of liquid and solid systems very close to the melting-freezing transition zone have been performed for the microcanonical, canonical, and isothermal-isobaric molecular-dynamics ensembles. Temperature, ...
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      Temperature and pressure constraints near the freezing point  [Article]

      Morales, Juan J.; Nuevo, María J.; Rull Fernández, Luis Felipe (American Institute of Physics Publising LLC, 1991)
      The isothermal-isobaric ensemble molecular-dynamics method MD(T,p,N) proposed by Nosé and Hoover is used to study the fluctuations in a two-dimensional Lennard-Jones fluid, close to the freezing point. The T and p constraints ...