We discuss pressure computations for the hard-disk model performed since 1953 and compare them to the results that we obtain with a powerful event-chain Monte Carlo and a massively parallel Metropolis algorithm. Like other simple models in the sciences, such as the Drosophila model of biology, the hard-disk model has needed monumental efforts to be understood. In particular, we argue that the difficulty of estimating the pressure has not been fully realized in the decades-long controversy over the hard-disk phase-transition scenario. We present the physics of the hard-disk model, the definition of the pressure and its unbiased estimators, several of which are new. We further treat different sampling algorithms and crucial criteria for bounding mixing times in the absence of analytical predictions. Our definite results for the pressure, for up to one million disks, may serve as benchmarks for future sampling algorithms. A synopsis of hard-disk pressure data as well as different versions of the sampling algorithms and pressure estimators are made available in an open-source repository.
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21 December 2022
Research Article|
December 20 2022
Hard-disk pressure computations—a historic perspective
Special Collection:
JCP Editors' Choice 2022
Botao Li
;
Botao Li
(Conceptualization, Data curation, Investigation, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
1
Laboratoire de Physique de l’Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université, Université de Paris Cité
, Paris, France
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Yoshihiko Nishikawa
;
Yoshihiko Nishikawa
(Conceptualization, Data curation, Investigation, Software, Validation, Visualization, Writing – original draft, Writing – review & editing)
2
Graduate School of Information Sciences, Tohoku University
, Sendai 980-8579, Japan
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Philipp Höllmer
;
Philipp Höllmer
(Data curation, Software, Validation, Writing – review & editing)
3
Physikalisches Institut and Bethe Center for Theoretical Physics, University of Bonn
, Nussallee 12, 53115 Bonn, Germany
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Louis Carillo
;
Louis Carillo
(Conceptualization, Data curation, Investigation, Software, Visualization)
1
Laboratoire de Physique de l’Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université, Université de Paris Cité
, Paris, France
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A. C. Maggs
;
A. C. Maggs
(Conceptualization, Investigation, Software, Validation, Writing – original draft, Writing – review & editing)
4
CNRS Gulliver, ESPCI Paris, Université PSL
, 10 rue Vauquelin, 75005 Paris, France
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Werner Krauth
Werner Krauth
a)
(Conceptualization, Investigation, Software, Supervision, Validation, Writing – original draft, Writing – review & editing)
1
Laboratoire de Physique de l’Ecole normale supérieure, ENS, Université PSL, CNRS, Sorbonne Université, Université de Paris Cité
, Paris, France
a)Author to whom correspondence should be addressed: werner.krauth@ens.fr
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a)Author to whom correspondence should be addressed: werner.krauth@ens.fr
J. Chem. Phys. 157, 234111 (2022)
Article history
Received:
September 15 2022
Accepted:
November 21 2022
Citation
Botao Li, Yoshihiko Nishikawa, Philipp Höllmer, Louis Carillo, A. C. Maggs, Werner Krauth; Hard-disk pressure computations—a historic perspective. J. Chem. Phys. 21 December 2022; 157 (23): 234111. https://doi.org/10.1063/5.0126437
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