Temperature-induced topological differentiation of the two high-density amorphous ices
| Autor: | Antonino Marco Saitta, Th. Strässle, Stefan Klotz |
|---|---|
| Přispěvatelé: | Institut de minéralogie et de physique des milieux condensés (IMPMC), Université Pierre et Marie Curie - Paris 6 (UPMC)-IPG PARIS-Université Paris Diderot - Paris 7 (UPD7)-Centre National de la Recherche Scientifique (CNRS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2006 |
| Předmět: |
PACS. 61.43.-j – Disordered solids
Materials science 010304 chemical physics Annealing (metallurgy) Coordination number Structural modeling: serial-addition models General Physics and Astronomy High density 61.43.-j - Disordered solids - 61.43.Bn - Structural modeling: serial-addition models computer simulation 01 natural sciences Temperature induced Amorphous solid Disordered solids Structural modeling: serial-addition models computer simulation Disordered solids PACS. 61.43.-j – Disordered solids. 61.43.Bn - Structural modeling: serial-addition models computer simulation Chemical physics [PHYS.COND.CM-GEN]Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other] 0103 physical sciences computer simulation 010306 general physics Ambient pressure |
| Zdroj: | EPL-Europhysics Letters EPL-Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2006, 74, pp.445-451. ⟨10.1209/epl/i2006-10016-x⟩ EPL-Europhysics Letters, 2006, 74, pp.445-451. ⟨10.1209/epl/i2006-10016-x⟩ |
| ISSN: | 0295-5075 1286-4854 |
| DOI: | 10.1209/epl/i2006-10016-x⟩ |
| Popis: | The high-density (HDA) and the very high-density (VHDA) amorphous forms of ice are studied through computer simulations. The structural transformations involve, at different stages of compression, two different subgroups of second-shell neighbors. The interplay between these subgroups is found to be crucial in the mechanism of high-pressure differentiation between HDA and VHDA: in HDA they are more separated and the first subgroup is locked in the anti-tetrahedral, ice-VII-like positions all along the downstroke to ambient pressure. In VHDA the annealing under pressure triggers instead the merging of the two subgroups through a counter-intuitive outward displacement of one subgroup of neighbors, resulting then in a local decrease of the coordination number, a more random-close-packed arrangement and a different equation of state. |
| Databáze: | OpenAIRE |
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