Simulation of Water and Ammonia at High Pressure and Temperature: a first principle study of the phase diagram - Couverture souple

Cavazzoni, Carlo; L. Chiarotti, Guido; Scandolo, Sandro

 
9783838367156: Simulation of Water and Ammonia at High Pressure and Temperature: a first principle study of the phase diagram
Couverture souple
ISBN 10 : 3838367154 ISBN 13 : 9783838367156
Editeur : LAP LAMBERT Academic Publishing, 2010

Synopsis

In this work we present the results of extensive Constant Pressure ab-inito Molecular Dynamics simulations of Water and Ammonia at high pressures and temperatures. New superionic, ionic and metallic phases have been discovered and characterized, and consequence on planetary physics discussed. Large scale demanding ab-initio simulations to compute Water and Ammonia phase diagrams, have been possible thanks to the design and the implementation of an architecture free parallel code, ables to exploit the computational power of modern massive parallel computers.

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Présentation de l'éditeur

In this work we present the results of extensive Constant Pressure ab-inito Molecular Dynamics simulations of Water and Ammonia at high pressures and temperatures. New superionic, ionic and metallic phases have been discovered and characterized, and consequence on planetary physics discussed. Large scale demanding ab-initio simulations to compute Water and Ammonia phase diagrams, have been possible thanks to the design and the implementation of an architecture free parallel code, ables to exploit the computational power of modern massive parallel computers.

Biographie de l'auteur

Born in Formigine (Modena) Italy, the 20th of May 1970. 28 July 1994, degree of "Dottore in Fisica" from the University of Modena. 24 October 1998, degree of "Doctor Philosophiae" (Ph.D.) from SISSA/ISAS of Trieste. 1999 - today, staff member of High Performance Computing Department in CINECA.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2010
Langue
anglais
ISBN 10 
3838367154
ISBN 13 
9783838367156
Reliure
Broché
Nombre de pages
112
Coordonnées du fabricant
non disponible
Personne responsable
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