| タイトル | Thermodynamic properties of small aggregates of rare-gas atoms |
| 著者（英） | Kaelberer, J.; Etters, R. D. |
| 発行日 | 1975-03-01 |
| 言語 | eng |
| 内容記述 | The present work reports on the equilibrium thermodynamic properties of small clusters of xenon, krypton, and argon atoms, determined from a biased random-walk Monte Carlo procedure. Cluster sizes ranged from 3 to 13 atoms. Each cluster was found to have an abrupt liquid-gas phase transition at a temperature much less than for the bulk material. An abrupt solid-liquid transition is observed for thirteen- and eleven-particle clusters. For cluster sizes smaller than 11, a gradual transition from solid to liquid occurred over a fairly broad range of temperatures. Distribution of number of bond lengths as a function of bond length was calculated for several systems at various temperatures. The effects of box boundary conditions are discussed. Results show the importance of a correct description of boundary conditions. A surprising result is the slow rate at which system properties approach bulk behavior as cluster size is increased. |
| NASA分類 | FLUID MECHANICS AND HEAT TRANSFER |
| レポートNO | 75A24282 |
| 権利 | Copyright |
| URI | https://repository.exst.jaxa.jp/dspace/handle/a-is/448901 |
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