journal article·2004-10

Molecular dynamics study on freezing of Lennard-Jones argon in an open-ended cylindrical pore

Kengo Nishio, Junichiro Kōga, Toshio Yamaguchi, Fumiko Yonezawa

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Abstract

Freezing of Lennard-Jones Ar in an open-ended and structured pore is studied by molecular dynamics simulations. A pore filled with liquid Ar is prepared by the condensation of a gas. Even in a finite-length pore, the capillary condensation takes place accompanying the sharp increase in the number of adsorbed atoms. Freezing starts from the vicinity of the pore wall. As for the configuration of Ar atoms near the center of the pore, the second peak of the radial distribution function split into two humps, which indicates that the confined solid is amorphous.
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Research context

OpenAlex topics: Mesoporous Materials and Catalysis · Zeolite Catalysis and Synthesis · Aerogels and thermal insulation

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

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