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Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids
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10.1063/1.3054635
/content/aip/journal/jcp/130/1/10.1063/1.3054635
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/1/10.1063/1.3054635

Figures

Image of FIG. 1.
FIG. 1.

Normalized instantaneous fluctuations of the potential energy (circles) and virial (squares) for the AMLJ model with at the indicated pressure and temperature. The ordinate of the upper curves has been shifted five units for clarity.

Image of FIG. 2.
FIG. 2.

Fluctuations of the virial vs those of the potential energy in the AMLJ model with , 12, 24, and 36. For each , results for all pressures , 10, and 20 and all temperatures studied are shown. Colors in the online version indicate data sets corresponding to different state points. The corresponding ranges of densities are for , for , for , and for . The solid lines represent the least-squares linear fits with the correlation coefficient indicated.

Image of FIG. 3.
FIG. 3.

Fluctuations of the virial vs those of the potential energy for the AMLJ model with at pressures and 50 and all studied (yielding ). These correspond to pressures (see Sec. II) comparable to the values for at and 20.

Image of FIG. 4.
FIG. 4.

Least-squares slope calculated along individual isobars shown as a function of density . Results are shown for the AMLJ model with , 12 , 24 , and 36 . The horizontal dashed lines denote the corresponding values of the scaling exponent (from Ref. 20).

Tables

Generic image for table
Table I.

Summary of exponents from correlations and from thermodynamic scaling of diffusion for various LJ liquids. The correlation coefficient obtained from linear regression of data is also included. Statistical uncertainties on correspond to one standard deviation in the “mean” case, and to the error associated with linear regression in the “global” case.

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/content/aip/journal/jcp/130/1/10.1063/1.3054635
2009-01-07
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/1/10.1063/1.3054635
10.1063/1.3054635
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