| Numéro |
J. Phys. Colloques
Volume 42, Numéro C6, Décembre 1981
International Conference on Phonon Physics
|
|
|---|---|---|
| Page(s) | C6-511 - C6-515 | |
| DOI | https://doi.org/10.1051/jphyscol:19816149 | |
International Conference on Phonon Physics
J. Phys. Colloques 42 (1981) C6-511-C6-515
DOI: 10.1051/jphyscol:19816149
1 U. of Trieste, Trieste, Italy
2 Argonne National Laboratory, Argonne, IL 60439, U.S.A.
J. Phys. Colloques 42 (1981) C6-511-C6-515
DOI: 10.1051/jphyscol:19816149
POLYMORPHIC TRANSITIONS IN ALKALI HALIDES, A MOLECULAR DYNAMICS STUDY
M. Parrinello1 et A. Rahman21 U. of Trieste, Trieste, Italy
2 Argonne National Laboratory, Argonne, IL 60439, U.S.A.
Abstract
Using constant pressure molecular dynamics method, B1 → B2 transition in K+Cl- has been studied. The microscopic detail of the transition is found to be different from the one conjectured about in the literature.