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 |
|---|---|
| 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 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Raugei, S., Cardini, G., Schettino, V., & Jodl, H. J. (1997). Orientational ordering in the mixed crystal Ar1-x(N2)x: A molecular dynamics study. Journal of Chemical Physics, 106(19), 8196-8203.