Free energy landscape from path-sampling: application to the structural transition in LJ38

Autor: M. Athénes, G. Adjanor, Florent Calvo

Publikováno v: European Physical Journal B Condensed Matter Physics
European Physical Journal B Condensed Matter Physics, 2006, 53, ⟨10.1140/epjb/e2006-00353-0⟩
European Physical Journal B: Condensed Matter and Complex Systems
European Physical Journal B: Condensed Matter and Complex Systems, Springer-Verlag, 2006, 53, ⟨10.1140/epjb/e2006-00353-0⟩
The European Physical Journal B: Condensed Matter and Complex Systems
The European Physical Journal B: Condensed Matter and Complex Systems, Springer-Verlag, 2006, 53, ⟨10.1140/epjb/e2006-00353-0⟩
The European Physical Journal B: Condensed Matter and Complex Systems, 2006, 53, ⟨10.1140/epjb/e2006-00353-0⟩

International audience; We introduce a path-sampling scheme that allows equilibrium state-ensemble averages to be computed by means of a biased distribution of non-equilibrium paths. This non-equilibrium method is applied to the case of the 38-atom L

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ab51a93c970642949574fe9f2cfcacd
https://doi.org/10.1140/epjb/e2006-00353-0

A two-state model analysis of the melting of sodium clusters: Insights in the enthalpy-entropy compensation

Autor: F. Chirot, Jean-Marc L'Hermite, Sébastien Zamith

Publikováno v: EPL-Europhysics Letters
EPL-Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2010, 92 (1), pp.13004. ⟨10.1209/0295-5075/92/13004⟩

International audience; Experimental melting temperatures and associated latent heats of size-selected sodium clusters are analyzed in the frame of a two-state model of melting. The strong variations of these quantities as a function of size make clu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed0c1b336d2230722c0daf282a41e9c2
https://hal.archives-ouvertes.fr/hal-00530359/document

manifestations of phase changes in CaArn clusters: finite size effects

Autor: Calvo, Florent, Spiegelman, Fernand, Gaveau, M.-A., Briant, M., Fournier, P.-R., Mestdagh, J.-M., Visticot, J. P.

Publikováno v: The European Physical Journal D : Atomic, molecular, optical and plasma physics
The European Physical Journal D : Atomic, molecular, optical and plasma physics, EDP Sciences, 2003, 24, pp.215-218. ⟨10.1140/epjd/e2003-00149-x⟩
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2003, 24, pp.215-218. ⟨10.1140/epjd/e2003-00149-x⟩

The finite temperature optical spectroscopy of CaArn clusters in the range 6 n 146 is investigated using a Diatomics-In-Molecule (DIM) Hamiltonian and classical parallel tempering Monte Carlo simulations. The absorption spectrum is calculated in the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::fb1731388cfaccd4eafcc425e6214c55
https://hal.archives-ouvertes.fr/hal-00094545

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