Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Comparison of the atomic level structure of the plastic crystalline and liquid phases of CBr2Cl2: Neutron diffraction and reverse Monte Carlo modelling

Autor
Pothoczki, S.; Temleitner, L.; Pardo, L.; Cuello, G.; Rovira, M.; Tamarit, J. Ll.
Tipus d'activitat
Article en revista
Revista
Journal of physics: condensed matter
Data de publicació
2013-10-18
Volum
25
Número
45
Pàgina inicial
454216
Pàgina final
454223
DOI
10.1088/0953-8984/25/45/454216
URL
http://iopscience.iop.org/0953-8984/25/45/454216/ Obrir en finestra nova
Resum
Neutron diffraction results obtained for plastic crystalline dichlorodibromomethane (CBr2Cl2) have been modelled by means of the reverse Monte Carlo method. Comparison with its liquid phase is provided at several levels of the atomic structure (total scattering structure factors, partial radial distribution functions, orientational and dipole-dipole correlations). The results reveal that the relative orientation of neighbouring molecules largely depends on the steric effect. The small dipole mom...
Paraules clau
Atomic Level Structure, Dipole-dipole Correlation, Partial Radial Distribution Functions, Plastic Crystalline, Relative Orientation, Reverse Monte Carlo Method, Reverse Monte Carlo Modelling, Short Range Ordering
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
GCM - Grup de Caracterització de Materials

Participants