Statistical Fluctuations along the Lennard-Jones Melting Curve
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منابع مشابه
Statistical Fluctuations along the Lennard-Jones Melting Curve
Statistical fluctuations and correlations between thermodynamic properties along the fluid side of the melting line of the Lennard-Jones (LJ) are determined using Molecular Dynamics (MD) computer simulation. Linear regression, the Pearson coefficient and other statistical measures are calculated. The cross correlation between the configurational part of the pressure and potential energy, and th...
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Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the conventional Lennard-Jones (LJ) system. The emerging equations can be written as T=Aρ(4)+Bρ(2) in normalized units. We suggest to determine the values of the coefficie...
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Lennard-Jones-Devonshire equation of state is an old but theoretical based EOS. The concept of the nearest neighboring molecules or coordination number is proposed to be a function of temperature and volume, whereas it is a constant in the original. The dilute gas and hard sphere limits of molecules are employed to determine this function. Improvement of this modification is demonstrated by pro...
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ژورنال
عنوان ژورنال: Computational Methods in Science and Technology
سال: 2016
ISSN: 1505-0602,2353-9453
DOI: 10.12921/cmst.2016.22.01.001