Manioc : Portail | resultats 1 - 20 pour la recherche: Pepe, G.

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
Predicting the impact of underground engineering on the environment requires the knowledge of natural media at different scales. In particular, understanding basic phenomena controlling the properties of rocks in the presence of complex fluids necessitates a detailed atomic description of the solid/fluid/solid contacts, the subject of Part I of the present study. First, building the solid interspace between two different crystals in a non-periodic situation is achieved using the ab initio and molecular mechanics code GenMol (TM). A description of the fluid confined within the interspace is then derived from the original genetic iterative multi-species (GIMS) algorithm implemented in the same code. This approach consists of equilibrating chemical potentials, cycle after cycle and species after species, between the confined fluid and the free natural fluid. An elementary iteration for a species k consists of different steps incrementing the number N-k of particles k, with other numbers N-k remaining constant. At each step, an optimum fluid composition is obtained by a genetic process distributing the fluid particles on a grid by stochastic shots, followed in fine by a refining process. The effectiveness of the GIMS approach is demonstrated in the case study of a fluid confined between two (0 0 1) kaolinite faces, with apertures h varying between 4 and 10 A. connected to a 9-species external solution [H2O, Cl-, Na+ CO2(aq), NaCl(aq), Ca2+, Mg2+, HCO3-, H3O+] where concentrations are ranging from 55 to 10(-4) mol/L. The results show a drastic variation in the solute/solvent and cations/ions ratios in the confined fluid when aperture h is lowered to less than 1 nm. These results obtained with a very rapid convergence of the iterative algorithm combined with a very competitive genetic optimizer are validated with high precision on a free solution. This description of contacts between crystals is original and unattainable by standard crystal interface approaches. It opens the way to understanding and/or predicting phenomena between crystals in a complex natural environment, such as adhesion or repulsion investigated in the Part II of this study.
ISSN: 0022-0248

hal-00544569
https://hal.archives-ouvertes.fr/hal-00544569
DOI : 10.1016/j.jcrysgro.2010.08.009

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Narrative of a five years' expedition against the revolted negroes of Surinam in Guiana, on the wild coast of South America from the year 1772 to 1777, elucidating the history of that country and describing its productions... with an account of the Indians of Guiana and negroes of Guinea... Tome 2
Auteur(s) : Stedman, John Gabriel (1744-1797)
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Flore pittoresque et médicale des Antilles ou histoire naturelle des plantes usuelles des colonies françaises, anglaises, espagnoles et portugaises. Dédiée et présentée au roi. Tome cinquième
Auteur(s) : Descourtilz, Michel Etienne (1777-1835)
Auteurs secondaires : Descourtilz, Jean Théodore (1798-1855)
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Voyage aux îles de Ténériffe, la Trinité, Saint-Thomas, Sainte-Croix et Porto Ricco : exécuté par ordre du gouvernement français, depuis le 30 septembre 1796 jusqu'au 7 juin 1798, sous la direction du capitaine Baudin, pour faire des recherches et des collections relatives à l'histoire naturelle : contenant des observations sur le climat, le sol, la population, l'agriculture, les productions de ces îles, le caractère, les moeurs et le commerce de leurs habitants. Tome 2
Auteur(s) : Ledru, André-Pierre (1761-1825)
Auteurs secondaires : Sonnini de Manoncourt, Charles-Nicolas-Sigisbert (1751-1812)
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Abrégé de l'histoire générale des voyages. Tome seizième, [Amérique]
Auteur(s) : La Harpe, Jean François de (1739-1803)
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Rerum medicarum novae Hispaniae thesaurus seu plantarum animalium mineralium mexicanorum historia ex Francisci Hernandez novi orbi medici primarii relationibus in ipsa mexicana urbe conscriptis a Nardo Antonio Reccho monte corvinate Cath. Majest. medico et Neap. Regni archiatro generali jussu Philippi II Hisp. ind. etc. regis collecta ac in ordinem digesta a Joanne Terrentio Lynceo Constantiense Germ. Ph.o ac medico notis illustrata... Quibus jam excussis accessere demum alia quorum omnium synopsis sequenti pagina ponitur. Opus duobus voluminibus divisum Philippo IIII. regi catholico magno....
Auteur(s) : Hernandez, Francisco (1515-1587)
Auteurs secondaires : Greuter, Johann Friedrich (1590-1662) Faber, Johann (1570-1640) Recchi, Nardo Antonio (1540-1595) Terentius, Joannes (1576-1630) Cesi, Federico (1585-1630) Colonna, Fabio (1567-1650)
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Colonies étrangères et Haïti : résultats de l'émancipation anglaise. Tome second, Colonies danoises; Haïti; Du droit de visite; Coup d'oeil sur l'état de la question d'affranchissement
Auteur(s) : Schoelcher, Victor (1804-1893)
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Vertes demeures : roman de la forêt tropicale
Auteur(s) : Hudson, William Henry (1841-1922)
Auteurs secondaires : Llona, Victor (1886-1953)
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