On Lennard-Jones-type potentials on the half-line
نویسندگان
چکیده
منابع مشابه
The Effect of Truncation and Shift on Virial Coefficients of Lennard–jones Potentials
We present virial coefficients of up to fifth order computed by Mayer-sampling Monte Carlo for several truncated-and-shifted Lennard–Jones potentials. We employ these coefficients within the virial equation of state to compute vapor-branch spinodals and critical points for each potential considered. We find that truncation distances of 5.0σ and higher yield values in significantly better agreem...
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We examine in detail the causes of the structural transitions that occur for those small LennardJones clusters that have a non-icosahedral global minima. Based on the principles learned from these examples we develop a method to construct structural phase diagrams that show in a coarse-grained manner how the equilibrium structure of large clusters depends on both size and temperature. The metho...
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ژورنال
عنوان ژورنال: Archiv der Mathematik
سال: 2018
ISSN: 0003-889X,1420-8938
DOI: 10.1007/s00013-018-1243-4