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Numerical methods and programming, 2011, Volume 12, Issue 4, Pages 397–408
(Mi vmp208)
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Вычислительные методы и приложения
Calculation of the density of states and the thermal properties of polymer
chains and stars on a lattice by the Monte Carlo method with the use of
the Wang–Landau algorithm
I. A. Silantyeva, P. N. Vorontsov-Velyaminov Saint Petersburg State University
Abstract:
The Monte Carlo method with the use of the Wang–Landau algorithm is applied
to study the lattice models of free polymer chains and 6-arm polymer stars.
The ratio of self-avoiding walks among semi-phantom walks for the chains of length
$N\leq 300$ and the stars with the total number $N\leq 720$ of segments is determined.
The distribution over the number of monomers' contacts for chains and stars
with the number $N=30, 72, 120$ of segments is obtained. Based on this distribution,
the temperature dependences are found for the internal energy, the heat capacity,
and the entropy.
Keywords:
polymer star; Wang-Landau algorithm.
Citation:
I. A. Silantyeva, P. N. Vorontsov-Velyaminov, “Calculation of the density of states and the thermal properties of polymer
chains and stars on a lattice by the Monte Carlo method with the use of
the Wang–Landau algorithm”, Num. Meth. Prog., 12:4 (2011), 397–408
Linking options:
https://www.mathnet.ru/eng/vmp208 https://www.mathnet.ru/eng/vmp/v12/i4/p397
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Abstract page: | 142 | Full-text PDF : | 86 |
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