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Nature of two-dimensional melting in simple atomic systems

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Abstract

We investigate the characteristics of two-dimensional melting in simple atomic systems via isobaric-isothermal (NPT) and isochoric-isothermal (NV T) molecular dynamics simulations with a special focus on the effect of the range of the potential on the melting. We find that the system with an interatomic potential of longer range clearly exhibits a region (in the PT plane) with a (thermodynamically) stable hexatic phase. On the other hand, the system with a shorter-range potential exhibits a first-order melting transition both in the NPT and the NV T ensembles. Melting of the system with an intermediate range potential shows a hexatic-like feature near the melting transition in the NV T ensemble, but it undergoes an unstable hexatic-like phase during melting process in the NPT ensemble, which implies the existence of a weakly first-order transition. The overall features represent a crossover from a continuous melting transition in the cases of longer-ranged potentials to a discontinuous (first-order) one in the systems with shorter and intermediate ranged potentials. We also calculate the Binder cumulants, as well as the susceptibility, of the bond-orientational order parameter.

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Authors and Affiliations

  1. Department of Financial Engineering, Ajou University, Suwon, 443-749, Korea

    Sang Il Lee

  2. Department of Physics, University of Suwon, Hwaseong, 445-743, Korea

    Sung Jong Lee

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  1. Sang Il Lee
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  2. Sung Jong Lee
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Correspondence to Sung Jong Lee.

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Lee, S.I., Lee, S.J. Nature of two-dimensional melting in simple atomic systems. Journal of the Korean Physical Society 65, 1040–1048 (2014). https://doi.org/10.3938/jkps.65.1040

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