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Superfluid response of 4 He N – N 2 O clusters probed by path integral Monte Carlo simulations
| Content Provider | Semantic Scholar |
|---|---|
| Author | Wang, Lecheng Xie, Daiqian Roy, Robert Roy, Pierre-Nicholas |
| Copyright Year | 2011 |
| Abstract | Using an improved path integral Monte Carlo method, finite-temperature structural and dynamical properties of HeN–N2O clusters (N 6 40) are investigated. The simulations employed a newly developed He– N2O interaction potential obtained at the CCSD(T) level. Good agreement with experimental observations was obtained for the evolution of the effective rotational constant as a function of cluster size. In particular, the experimentally observed turnaround at N = 6 for the effective rotational constant Beff is attributed to filling of the ‘‘donut’’ ring structure around the equator of the linear impurity molecule, and a second extremum in Beff for cluster sizes near N = 10 is associated with the emergence of superfluidity of the quantum solvent. A careful comparison with properties of HeN–CO2 clusters suggests that the difference between the renormalized rotational constants of the two impurity molecules is due to the anisotropy of the solute–solvent interaction potential. 2011 Elsevier Inc. All rights reserved. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://scienide2.uwaterloo.ca/~rleroy/Pubn/11JMS_He-N2O.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
