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
Orientational ordering in the mixed crystal Ar1-x(N2)x : A molecular dynamics study. / Raugei, Simone; Cardini, Gianni; Schettino, Vincenzo; Jodl, Hans J.
In: Journal of Chemical Physics, Vol. 106, No. 19, 15.05.1997, p. 8196-8203.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Orientational ordering in the mixed crystal Ar1-x(N2)x
T2 - A molecular dynamics study
AU - Raugei, Simone
AU - Cardini, Gianni
AU - Schettino, Vincenzo
AU - Jodl, Hans J.
PY - 1997/5/15
Y1 - 1997/5/15
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0346015254&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0346015254&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0346015254
VL - 106
SP - 8196
EP - 8203
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 19
ER -