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Phase Transitions in Classical Fluids and Fluids with Internal Quantum States in Two Dimensions: Computer Simulations and Theory

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Computer Simulation Studies in Condensed-Matter Physics IV

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 72))

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Abstract

1)We investigate the properties of a model fluid whose molecules have classical degrees of freedom in two dimensions and two internal quantum states. The attractive interactions are “turned on” when the internal states are hybridized, corresponding to the molecules acquiring a “dipole” moment. The phase diagram of this system in the temperature- density plane is investigated by a combination of path integral Monte Carlo and block size analysis techniques. The results are compared with mean- field—theory predictions. 2) We present molecular dynamics simulation results of quenches into the unstable region of a two-dimensional Lennard-Jones system. The evolution of the system from the non-equilibrium state into equilibrium was analyzed with a dynamical block analysis.

Part 1) is based on a cooperation with D. Marx and K. Binder, part 2) is based on a cooperation with D. W. Heermann

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Authors and Affiliations

  1. Institut für Physik, Universität Mainz, Staudinger Weg 7, W-6500, Mainz, Fed. Rep. of Germany

    P. Nielaba

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  1. P. Nielaba
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Editors and Affiliations

  1. Center for Simulation Physics, The University of Georgia, Athens, GA, 30602, USA

    David P. Landau Ph. D , K. K. Mon Ph. D  & Heinz-Bernd Schüttler Ph. D ,  & 

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© 1993 Springer-Verlag Berlin Heidelberg

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Nielaba, P. (1993). Phase Transitions in Classical Fluids and Fluids with Internal Quantum States in Two Dimensions: Computer Simulations and Theory. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics IV. Springer Proceedings in Physics, vol 72. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84878-0_2

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  • DOI: https://doi.org/10.1007/978-3-642-84878-0_2

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  • Print ISBN: 978-3-642-84880-3

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