Computer simulation of polytypes
Data(s) |
01/05/1980
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Resumo |
Polytypes have been simulated, treating them as analogues of a one-dimensional spin-half Ising chain with competing short-range and infinite-range interactions. Short-range interactions are treated as random variables to approximate conditions of growth from melt as well as from vapour. Besides ordered polytypes up to 12R, short stretches of long-period polytypes (up to 33R) have been observed. Such long-period sequences could be of significance in the context of Frank's theory of polytypism. The form of short-range interactions employed in the study has been justified by carrying out model potential calculations. |
Formato |
application/pdf |
Identificador |
http://eprints.iisc.ernet.in/21991/1/a18359.pdf Uppal, MK and Ramasesha, S and Rao, CNR (1980) Computer simulation of polytypes. In: Acta Crystallographica Section A Crystal Physics, Diffraction, Theoretical and General Crystallography, 36 (3). pp. 356-361. |
Publicador |
International Union of Crystallography |
Relação |
http://scripts.iucr.org/cgi-bin/paper?S0567739480000824 http://eprints.iisc.ernet.in/21991/ |
Palavras-Chave | #Molecular Biophysics Unit |
Tipo |
Journal Article PeerReviewed |