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.
|Number of pages||8|
|Journal||Journal of Chemical Physics|
|Publication status||Published - May 15 1997|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics