Abstract:The purpose of the present paper is to study the freezing procedures of a rare-gas system confined in a nanometer-scale pore as well as the atomic structure of a confined rare-gas solid. To this end, we carry out molecular-dynamics ͑MD͒ simulations for Lennard-Jones argon ͑LJ Ar͒ confined in an open-ended finitelength pore. Our simulation cell consists of two sections. One section contains a cubic solid with a cylindrical pore, the solid being composed of LJ atoms with interaction parameters appropriate for si… Show more
“…The LJ type potentials have advantages such as permitting the investigation of relatively long-time phenomena. Therefore, it is very efficient to be used for well describing rare-gas cluster systems [32,33]. However, the present analysis would not depend on the detailed form of the potential.…”
Section: Theoretical Background and Computational Methodologymentioning
“…The LJ type potentials have advantages such as permitting the investigation of relatively long-time phenomena. Therefore, it is very efficient to be used for well describing rare-gas cluster systems [32,33]. However, the present analysis would not depend on the detailed form of the potential.…”
Section: Theoretical Background and Computational Methodologymentioning
“…The detailed discussion on the atomic structure is given in elsewhere [19]. The comparison of our results with experimental results are also given in elsewhere [18].…”
Section: Discussionmentioning
confidence: 79%
“…This is because the strong attractive interactions between Ar atoms and O atoms in the pore wall makes the density of Ar atoms near the wall higher than that near the center of the pore. The comparison with previous experimental and theoretical studies are given in elsewhere [18].…”
“…Here, we regard an Ar atom as 'solid-like' if it does not move a distance longer than 2 1/6 r ArAr within the time duration of 2309 Â ðm Ar r 2 ArAr =e ArAr Þ 1=2 (2.5 ns). The detailed explanation for this criterion is given in elsewhere [8]. As the temperature is lowered, the mobility of Ar atoms in the nanopore is decreased.…”
Section: Preparation Of a Solid Ar Inside A Nanoporementioning
confidence: 98%
“…In the present paper, we report on molecular dynamics simulations which show that the stability of amorphous Ar characterized by local icosahedral configurations is enhanced inside a nanopore of 3.4 nm in diameter [7,8].…”
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