New Lennard-Jones metastable phase.

New Lennard-Jones metastable phase. Research Abstract Details 

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New Lennard-Jones metastable phase. Abstract Text:

Despite the extensive use of the Lennard-Jones potential in atomistic simulations, we present a metastable phase not reported so far for the Lennard-Jones solid. This phase having space group I43d arises from distortion of the body-centered cubic network. In contrast to the body-centered cubic phase, the I43d phase possesses a noticeable range of metastability.

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New Lennard-Jones metastable phase. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: The Journal of chemical physics

VOLUME: 129

Page Numbers: 026101

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ISSN: 1089-7690

DAY: 14

MONTH: Jul

YEAR: 2008

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LANGUAGE: eng

NlmUniqueID: 375360

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Grant and Affiliation Information for New Lennard-Jones metastable phase.

AFFILIATION: Computational Science, Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, CH-6900 Lugano, SwitzerlandCEA, DEN, Service de Recherches de Metallurgie Physique, F-91191 Gif-sur-Yvette, France.

Country: United States

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MEDLINETA: J Chem Phys

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