### Resumé

determines properties of liquids like viscosity, diffusion constant, and heat conductivity. We give

examples from computer simulations confirming this intriguing connection between dynamics and

thermodynamics, counterexamples, and experimental validations. Recent uses in application-related

contexts are reviewed, and theories proposed for the origin of excess-entropy scaling are briefly

summarized. It is shown that if two thermodynamic state points of a liquid have the same microscopic

dynamics, they must have the same excess entropy. In this case, the potential-energy function exhibits

a symmetry termed hidden scale invariance, stating that the ordering of the potential energies of

configurations is maintained if these are scaled uniformly to a different density. This property leads to

the isomorph theory, which provides a general framework for excess-entropy scaling and illuminates,

in particular, why this does not apply rigorously and universally. It remains an open question whether

all aspects of excess-entropy scaling and related regularities reflect hidden scale invariance in one

form or other.

Originalsprog | Engelsk |
---|---|

Artikelnummer | 210901 |

Tidsskrift | Journal of Chemical Physics |

Vol/bind | 149 |

Udgave nummer | 21 |

Antal sider | 21 |

ISSN | 0021-9606 |

DOI | |

Status | Udgivet - 2018 |

### Bibliografisk note

This article has been found as a ’Free Version’ from the Publisher on January 7th 2019. When access to the article closes, please notify rucforsk@ruc.dk### Citer dette

*Journal of Chemical Physics*,

*149*(21), [210901]. https://doi.org/10.1063/1.5055064

}

*Journal of Chemical Physics*, bind 149, nr. 21, 210901. https://doi.org/10.1063/1.5055064

**Perspective : Excess-entropy scaling.** / Dyre, Jeppe.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

TY - JOUR

T1 - Perspective

T2 - Excess-entropy scaling

AU - Dyre, Jeppe

N1 - This article has been found as a ’Free Version’ from the Publisher on January 7th 2019. When access to the article closes, please notify rucforsk@ruc.dk

PY - 2018

Y1 - 2018

N2 - This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld that entropy determines properties of liquids like viscosity, diffusion constant, and heat conductivity. We give examples from computer simulations confirming this intriguing connection between dynamics and thermodynamics, counterexamples, and experimental validations. Recent uses in application-related contexts are reviewed, and theories proposed for the origin of excess-entropy scaling are briefly summarized. It is shown that if two thermodynamic state points of a liquid have the same microscopic dynamics, they must have the same excess entropy. In this case, the potential-energy function exhibits a symmetry termed hidden scale invariance, stating that the ordering of the potential energies of configurations is maintained if these are scaled uniformly to a different density. This property leads to the isomorph theory, which provides a general framework for excess-entropy scaling and illuminates, in particular, why this does not apply rigorously and universally. It remains an open question whether all aspects of excess-entropy scaling and related regularities reflect hidden scale invariance in one form or other.

AB - This article gives an overview of excess-entropy scaling, the 1977 discovery by Rosenfeld that entropy determines properties of liquids like viscosity, diffusion constant, and heat conductivity. We give examples from computer simulations confirming this intriguing connection between dynamics and thermodynamics, counterexamples, and experimental validations. Recent uses in application-related contexts are reviewed, and theories proposed for the origin of excess-entropy scaling are briefly summarized. It is shown that if two thermodynamic state points of a liquid have the same microscopic dynamics, they must have the same excess entropy. In this case, the potential-energy function exhibits a symmetry termed hidden scale invariance, stating that the ordering of the potential energies of configurations is maintained if these are scaled uniformly to a different density. This property leads to the isomorph theory, which provides a general framework for excess-entropy scaling and illuminates, in particular, why this does not apply rigorously and universally. It remains an open question whether all aspects of excess-entropy scaling and related regularities reflect hidden scale invariance in one form or other.

UR - https://aip.scitation.org/doi/10.1063/1.5055064

U2 - 10.1063/1.5055064

DO - 10.1063/1.5055064

M3 - Journal article

VL - 149

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 21

M1 - 210901

ER -