Fluctuations close to equilibrium

A. Baranyai, Peter T. Cummings

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

We studied the fluctuations of well-defined nonequilibrium molecular dynamics systems by performing accurate computer simulations at constant volume and temperature. We monitored the internal energy, the color current, and the heat flow vectors and the pressure tensor in equilibrium and under the impact of ''color'' or shear fields of different size. Fluctuations of the previous quantities are the smallest under equilibrium conditions. In the case of the current generated by the external field, however, the relative fluctuations become smaller with increasing external field. We discuss the implications of these results and make comparisons with theoretical predictions. We point out problems related to the proof of the principle of maximum hardness by Parr and Chattaraj [J. Am. Chem Soc. 113, 1854 (1991)].

Original languageEnglish
Pages (from-to)2198-2203
Number of pages6
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume52
Issue number3
DOIs
Publication statusPublished - 1995

Fingerprint

Fluctuations
External Field
Non-equilibrium Molecular Dynamics
color
Heat Flow
internal energy
heat transmission
Hardness
Dynamic Systems
Well-defined
Computer Simulation
hardness
Tensor
computerized simulation
tensors
molecular dynamics
shear
Internal
Prediction
predictions

ASJC Scopus subject areas

  • Mathematical Physics
  • Physics and Astronomy(all)
  • Condensed Matter Physics
  • Statistical and Nonlinear Physics

Cite this

Fluctuations close to equilibrium. / Baranyai, A.; Cummings, Peter T.

In: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 52, No. 3, 1995, p. 2198-2203.

Research output: Contribution to journalArticle

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