Virial equation of state of hard hyperspheroids
We provide equation-of-state data for hard, uniaxial hyperellipsoids of revolution (hyperspheroids) in the four-dimensional Euclidean space for various prolate and oblate aspect ratios using virial coefficients up to the eighth order. Using analytically known second virial coefficients from Brunn-Minkowski theory as a reference, higher-order virial coefficients are calculated by means of Mayer-sampling Monte Carlo integration optimized for hard body systems. We compare results of hyperspheroids with spheroids and ellipses as their sections in two- and three-dimensional subspaces. To analyze the influence of the detailed particle shape in addition to the aspect ratio, we compare virial coefficients of hyperspheroids and hyperspherocylinders providing so far unknown seventh- and eighth-order virial coefficients of hyperspherocylinders. We compare equation-of-state data of anisotropic solids in R2, R3, and R4, demonstrating faster convergence of the virial series with increasing dimension of space.
Authors
- Joachim Wagner (ORCID: https://orcid.org/0000-0001-6570-8710)
- Markus Kulossa (ORCID: https://orcid.org/0000-0002-9064-2685)
Institutions
- University of Rostock (DE)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2025-11-04
- DOI
- https://doi.org/10.1063/5.0299159
- Primary Topic
- Material Dynamics and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00