English

Calculating entropy by Ma's method for a system of $k$-mers on a square lattice

Statistical Mechanics 2020-12-15 v2

Abstract

Boltzmann's entropy is an important feature of any dynamic system. Calculating Boltzmann's entropy directly as the logarithm of the total number of microstates for a current macrostate is difficult for large systems. In the case of studying the diffusion of kk-mers (linear segments of kk adjacent cells) on a lattice, the complexity of counting the possible microstates grows exponentially with the number of kk-mers in the system. The obvious solution to this problem is to obtain only an estimate for the entropy, as this is faster to calculate. The 2D sliding window technique can be used to divide a system of kk-mers on a lattice into subsystems. We use Ma's "coincidence" method to estimate the total number of possible states for such subsystems. In this study, the accuracy of Ma's method is studied in a simple combinatory model, both experimentally and theoretically. We determine which definition of "coincidence" for this scheme leads to greater accuracy. Where complex interactions between kk-mers are ignored, Ma's estimate of the number of possible states for a system of kk-mers correlates well with the estimate obtained using a "naive" method.

Keywords

Cite

@article{arxiv.2011.06976,
  title  = {Calculating entropy by Ma's method for a system of $k$-mers on a square lattice},
  author = {Denis V Kokosinskii and Mikhail V Ulyanov},
  journal= {arXiv preprint arXiv:2011.06976},
  year   = {2020}
}