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Author |
Pi, M.; Barranco, M.; Navarro, J.; Ancilotto, F. |
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Title |
Nucleation and cavitation in parahydrogen |
Type |
Journal Article |
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Year |
2012 |
Publication |
Chemical Physics |
Abbreviated Journal |
Chem. Phys. |
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Volume |
399 |
Issue |
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Pages |
213-217 |
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Keywords |
Nucleation; Cavitation; Metastable phases; Liquid parahydrogen |
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Abstract |
We have used a density functional approach to investigate thermal homogeneous nucleation and cavitation in parahydrogen. The effect of electrons as seeds of heterogeneous cavitation in liquid parahydrogen is also discussed within the capillary model. |
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Address |
[Pi, Marti; Barranco, Manuel] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain, Email: marti@ecm.ub.es |
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Publisher |
Elsevier Science Bv |
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Language |
English |
Summary Language |
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Original Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0301-0104 |
ISBN |
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Conference |
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Notes |
WOS:000304196100027 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
1039 |
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Author |
Ancilotto, F.; Barranco, M.; Navarro, J.; Pi, M. |
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Title |
A Density Functional Approach to Para-hydrogen at Zero Temperature |
Type |
Journal Article |
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Year |
2016 |
Publication |
Journal of Low Temperature Physics |
Abbreviated Journal |
J. Low Temp. Phys. |
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Volume |
185 |
Issue |
1-2 |
Pages |
26-38 |
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Keywords |
Solid and liquid bulk para-hydrogen; Small para-hydrogen clusters; Density functional theory |
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Abstract |
We have developed a density functional (DF) built so as to reproduce either the metastable liquid or the solid equation of state of bulk para-hydrogen, as derived from quantum Monte Carlo zero temperature calculations. As an application, we have used it to study the structure and energetics of small para-hydrogen clusters made of up to molecules. We compare our results for liquid clusters with diffusion Monte Carlo (DMC) calculations and find a fair agreement between them. In particular, the transition found within DMC between hollow-core structures for small N values and center-filled structures at higher N values is reproduced. The present DF approach yields results for (pH) clusters indicating that for small N values a liquid-like character of the clusters prevails, while solid-like clusters are instead energetically favored for . |
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Address |
[Ancilotto, Francesco] Dipartimento Fis & Astron Galileo Galilei, Padua, Italy, Email: manuel@ecm.ub.edu |
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Corporate Author |
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Publisher |
Springer/Plenum Publishers |
Place of Publication |
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Language |
English |
Summary Language |
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Original Title |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-2291 |
ISBN |
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Medium |
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Area |
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Expedition |
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Conference |
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Notes |
WOS:000382142000003 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
2814 |
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