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Molecular dynamics simulation with weak coupling to heat and material baths
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10.1063/1.3474951
/content/aip/journal/jcp/133/8/10.1063/1.3474951
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/8/10.1063/1.3474951

Figures

Image of FIG. 1.
FIG. 1.

Time dependence of the number of Ar particles at , , and .

Image of FIG. 2.
FIG. 2.

Oscillations in the number of SPC/E water molecule at , , and .

Image of FIG. 3.
FIG. 3.

Time evolution of the number of water molecules in coexisting liquid and gaseous phases at 373 K.

Tables

Generic image for table
Table I.

Grand canonical ensemble MD simulation results for Ar at , compared with the grand canonical MC (Ref. 41) and MD (Ref. 23) simulation results.

Generic image for table
Table II.

Comparison of the calculated vapor pressure and liquid and vapor densities of SPC/E water model (Ref. 42) at with previously reported simulation results (Refs. 28, 44, and 45) and with experiment (Ref. 46).

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/content/aip/journal/jcp/133/8/10.1063/1.3474951
2010-08-25
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular dynamics simulation with weak coupling to heat and material baths
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/8/10.1063/1.3474951
10.1063/1.3474951
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