Regensburg 2025 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 15: Poster Session I

CPP 15.68: Poster

Montag, 17. März 2025, 19:00–21:00, P4

Density of states in hard disks: Concentration dependency via SAMC simulation — Timur Shakirov^1,2, Malte Kautzsch¹, and •Viktor Ivanov¹ — ¹Martin-Luther-University Halle-Wittenberg, Halle (Saale), Germany — ²Indivumed GmbH, Hamburg, Germany

We propose a new variant of SAMC sampling for determining the density of states as a function of the concentration of particles. The system is modelled as a set of dimensionless points, i.e., points with zero diameter. The minimal points separation, d_min, is chosen as the sampling parameter determining the macrostate. Thus, the density of states and the visiting histogram depend on the minimal distance d_min and are accumulated at each step of the algorithm according to the standard SAMC procedure. In a microstate (particular configuration of points’ positions) with a given value of the minimal distance between points, d_min, one can replace the points with the hard disks of the diameter d_min (or less). This creates a system with a specific value of the concentration ϕ. We apply this algorithm for the two-dimensional system of hard disks to study its phase behaviour at different concentrations and compare the results with KTHNY theory and the previous simulations.

Keywords: 2d crystallisation of hard disks; flat-histogram Monte Carlo simulations