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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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Publisher |
Springer/Plenum Publishers |
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Language |
English |
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ISSN |
0022-2291 |
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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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Author |
Ancilotto, F.; Barranco, M.; Navarro, J.; Pi, M. |
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Title |
Cavitation of electron bubbles in liquid parahydrogen |
Type |
Journal Article |
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Year |
2011 |
Publication |
Molecular Physics |
Abbreviated Journal |
Mol. Phys. |
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Volume |
109 |
Issue |
23-24 |
Pages |
2757-2762 |
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Keywords |
liquid parahydrogen; electron bubbles; density functional theory; capillary approximation |
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Abstract |
Within a finite-temperature density functional approach, we have investigated the structure of electron bubbles in liquid parahydrogen below the saturated vapour pressure, determining the critical pressure at which electron bubbles explode as a function of temperature. The electron-parahydrogen interaction has been modelled by a Hartree-type local potential fitted to the experimental value of the conduction band-edge for a delocalized electron in pH(2). We have found that the pressure for bubble explosion is, in absolute value, about a factor of two smaller than that of the homogeneous cavitation pressure in the liquid. Comparison with the results obtained within the capillary model shows the limitations of this approximation, especially as temperature increases. |
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Address |
[Barranco, Manuel; Pi, Marti] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain, Email: manuel@ecm.ub.es |
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Publisher |
Taylor & Francis Ltd |
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English |
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ISSN |
0026-8976 |
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Notes |
WOS:000299109300007 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
930 |
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Author |
Argyropoulos, T.; Catalan-Lasheras, N.; Grudiev, A.; Mcmonagle, G.; Rodriguez-Castro, E.; Syrachev, I.; Wegner, R.; Woolley, B.; Wuensch, W.; Zha, H.; Dolgashev, V.; Bowden, G.; Haase, A.; Lucas, T.G.; Volpi, M.; Esperante-Pereira, D.; Rajamaki, R. |
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Title |
Design, fabrication, and high-gradient testing of an X-band, traveling-wave accelerating structure milled from copper halves |
Type |
Journal Article |
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Year |
2018 |
Publication |
Physical Review Accelerators and Beams |
Abbreviated Journal |
Phys. Rev. Accel. Beams |
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Volume |
21 |
Issue |
6 |
Pages |
061001 - 11pp |
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Abstract |
A prototype 11.994 GHz, traveling-wave accelerating structure for the Compact Linear Collider has been built, using the novel technique of assembling the structure from milled halves. The use of milled halves has many advantages when compared to a structure made from individual disks. These include the potential for a reduction in cost, because there are fewer parts, as well as a greater freedom in choice of joining technology because there are no rf currents across the halves' joint. Here we present the rf design and fabrication of the prototype structure, followed by the results of the high-power test and post-test surface analysis. During high-power testing the structure reached an unloaded gradient of 100 MV/m at a rf breakdown rate of less than 1.5 x 10(-5) breakdowns/pulse/m with a 200 ns pulse. This structure has been designed for the CLIC testing program but construction from halves can be advantageous in a wide variety of applications. |
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Address |
[Argyropoulos, Theodoros; Catalan-Lasheras, Nuria; Grudiev, Alexej; Mcmonagle, Gerard; Rodriguez-Castro, Enrique; Syrachev, Igor; Wegner, Rolf; Woolley, Ben; Wuensch, Walter; Zha, Hao] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland, Email: thomas.geoffrey.lucas@cern.ch |
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Publisher |
Amer Physical Soc |
Place of Publication |
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Editor |
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Language |
English |
Summary Language |
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Original Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9888 |
ISBN |
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Conference |
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Notes |
WOS:000434469900001 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
3608 |
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Author |
Leal, A.; Mateo, D.; Pi, M.; Barranco, M.; Navarro, J. |
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Title |
The structure of mixed He-3-He-4 droplets doped with OCS: A density functional approach |
Type |
Journal Article |
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Year |
2013 |
Publication |
Journal of Chemical Physics |
Abbreviated Journal |
J. Chem. Phys. |
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Volume |
139 |
Issue |
17 |
Pages |
174308 - 6pp |
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Keywords |
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Abstract |
We have investigated the structure and energetics of mixed He-3-He-4 droplets doped with a carbonyl sulfide molecule within a density functional approach considering a small but finite temperature of 0.1 K. The molecule is treated as an external field to which the helium droplet is attached. The energetics and appearance of these droplets are discussed for selected numbers of helium atoms, identifying the first magic numbers of the fermionic component. |
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Address |
[Leal, Antonio; Mateo, David; Pi, Marti; Barranco, Manuel] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain |
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Corporate Author |
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Thesis |
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Publisher |
Amer Inst Physics |
Place of Publication |
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Editor |
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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 |
0021-9606 |
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:000326922300022 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
no |
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Call Number |
IFIC @ pastor @ |
Serial |
1658 |
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Author |
Mateo, D.; Pi, M.; Navarro, J.; Toennies, J.P. |
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Title |
A density functional study of the structure of small OCS@He-3(N) clusters |
Type |
Journal Article |
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Year |
2013 |
Publication |
Journal of Chemical Physics |
Abbreviated Journal |
J. Chem. Phys. |
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Volume |
138 |
Issue |
4 |
Pages |
044321 - 8pp |
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Keywords |
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Abstract |
Kohn-Sham density functional calculations are reported for the structures of clusters consisting of a carbonyl sulfide (OCS) molecule with N = 1, 8, 18, and 40 attached He-3 atoms. The N = 1 cluster ground state is highly localized at the molecular waist (donut ring position), but for higher levels of excitation becomes increasingly delocalized. The first magic cluster with 8 atoms has a significant density at both ends of the molecule in addition to the donut ring. With N = 18 He-3 atoms the molecule is enclosed by a magic number closed shell. Another magic stable structure consisting of two nearly isotropically spherical closed shells is found at N = 40. A comparison with calculations for the same sized He-4 clusters show some important similarities, e. g., pile up at the donut ring position but altogether a more diffuse, less anisotropic structure. These results are discussed in the light of the recently analyzed infrared spectra measured in large pure He-3 droplets (N approximate to 1.2 x 10(4)) [B. Sartakov, J. P. Toennies, and A. F. Vilesov, J. Chem. Phys. 136, 134316 (2012)]. The moments of inertia of the 11 atom spherical shell structure, which is consistent with the experimental spectrum, lies between the predicted moments of inertia for N = 8 and N = 18 clusters. Overall the calculations reveal that the structures and energies of small doped He-3 are only slightly more diffuse and less energetic than the same He-4 clusters. |
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Address |
[Mateo, David; Pi, Marti] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain |
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Corporate Author |
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Thesis |
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Publisher |
Amer Inst Physics |
Place of Publication |
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Editor |
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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 |
0021-9606 |
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:000314725900038 |
Approved |
no |
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Is ISI |
yes |
International Collaboration |
yes |
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Call Number |
IFIC @ pastor @ |
Serial |
1337 |
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