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Numerical methods and programming, 2011, Volume 12, Issue 4, Pages 397–408 (Mi vmp208)  

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.
Document Type: Article
UDC: 536.756, 538.953, 519.245
Language: Russian
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
Citation in format AMSBIB
\Bibitem{SilVor11}
\by I.~A.~Silantyeva, P.~N.~Vorontsov-Velyaminov
\paper 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
\jour Num. Meth. Prog.
\yr 2011
\vol 12
\issue 4
\pages 397--408
\mathnet{http://mi.mathnet.ru/vmp208}
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