Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
116 (2002), S. 1621-1628
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The liquid–vapor transition in 3He and 4He is investigated by means of path-integral molecular dynamics and the quantum virial expansion. Both methods are applied to the critical isobar and the critical isochore. While previous path-integral simulations have mainly considered the lambda transition and superfluid regime in 4He, we focus on the vicinity of the critical point and obtain good agreement with experimental results for the molar volume and the internal energy down to subcritical temperatures. We find that an effective classical potential that properly describes the two-particle radial distribution function exhibits a strong temperature dependence near the critical temperature. This contrasts with the behavior of essentially classical systems like xenon, where the effective potential is independent of temperature. It is conjectured that, owing to this difference in behavior between classical and quantum-mechanical systems, the crossover behavior observed for helium in the vicinity of the critical point differs qualitatively from that of other simple liquids. © 2002 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1429957
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