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Evolution Of The Structure Of Amorphous Ice: From Low-Density Amorphous Through High-Density Amorphous To Very High-Density Amorphous Ice

JOURNAL OF CHEMICAL PHYSICS, no. 13 (2005): 134501-134501

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pubmed.ncbi.nlm.nih.gov academic.microsoft.com arxiv.org

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computer simulationstructural changehydrogen bondnetwork topology

Abstract

We report results of molecular dynamics simulations of amorphous ice for pressures up to 22.5 kbar. The high-density amorphous ice (HDA) as prepared by pressure-induced amorphization of I-h ice at T=80 K is annealed to T=170 K at various pressures to allow for relaxation. Upon increase of pressure, relaxed amorphous ice undergoes a pronou...More

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R Martonák

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D Donadio

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M Parrinello

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