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.

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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
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article

Virial equation of state of hard hyperspheroids

Joachim Wagner, Markus Kulossa
The Journal of Chemical Physics
Material Dynamics and Properties
article

Virial equation of state of hard hyperspheroids

Joachim Wagner, Markus Kulossa
article en

Abstract

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.

The Journal of Chemical PhysicsVol. 163(17)
University of Rostock (DE)
Openalex Percentile: Top 74%
Material Dynamics and Properties
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