Abstract
The mixed crystal Ar1-x (N2)x was studied by molecular dynamics simulations in the NPT ensemble for three selected concentrations. The α↔β transition was not observed, instead the low temperature α phase shows a transition to a plastic fee phase. The mixed crystals with fee arrangement tend to form orientationally ordered crystals. An orientational glass was obtained and characterized for x≃0.7 and with an hep structure in agreement with the experimental observations.
Original language | English |
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Pages (from-to) | 8196-8203 |
Number of pages | 8 |
Journal | Journal of Chemical Physics |
Volume | 106 |
Issue number | 19 |
Publication status | Published - May 15 1997 |
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics