Abstract
Determination of the short- and intermediate-range structure of disordered materials is a necessary step to fully understand their properties. Despite of this, no generally accepted procedure exists to date to extract structural information from diffraction data. In this paper we describe a method which enables determination of the short-range structure of disordered molecular phases. This general method is applied to one of the first studied molecular liquids, carbon tetrachloride, and to its plastic phase being able to unravel the so called local density paradox: although molecules are closer in the liquid than in the plastic phase, the density of the former is lower than that of the later. The analysis of the short range order in both phases shows that although the minimal energy configuration allows a closer approach of molecules, it hinders the formation of the face centered cubic long range ordered lattice due to the difficulty of molecules to form stacked structures.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
Lowden L. J., and Chandler D. (1974) J. Chem. Phys. 61(12), 5228; Jedlovszky P. (1997) J. Chem. Phys. 107(18), 7433
McDonald I., Bounds D. G., and Klein M. L. (1982) Mol. Phys. 45(3), 521
Jovari P., Meszaros G., Pusztai L., and Svab E. (2001), J. Chem. Phys. 114, 8082
Rey R., Pardo L.C., Llanta E., Ando K., López D. O., Tamarit J. Ll., and Barrio M. (2001) J. Chem. Phys. 112(17), 7505
Rey R. J. (2007) Chem. Phys. 126(16), 164506
Pardo L. C., Barrio M., Tamarit J. Ll., López D. O., Salud J., and Oonk H. A. J. (2005) Chem. Mater. 17, 6146; Pardo L. C., Barrio M., Tamarit J. Ll., López D. O., Salud J., Negrier P., and Mondieig D. (2001) J. Phys. Chem. 105, 10326
McDonald I., Bounds D. G., and Klein M. L. (1982) Mol. Phys. 45, 521; Breymann W. and Pick R. M. (1989) J. Chem. Phys. 91, 3119; More M., Lefebvre J., Hennion B., Powell B. M., and Zeyen C. M. E. (1980) J. Phys. C 13, 2833
Veglio N., Bermejo F. J., Pardo L. C., Tamarit J. L., and Cuello G. J. (2005) Phys. Rev. E 72, 031502; Pardo L. C., Veglio N., Bermejo F. J., Tamarit J. L., and Cuello G. J. (2005) Phys. Rev. B 72, 014206
Cuello G. J. (2008), J. Phys.: Cond. Matt. 20, 244109; Fischer E, Barnes A. C., and Salmon P. S. (2006) Rep. Prog. Phys. 69, 233–299; Talón C., Bermejo F. J., Cabrillo C., Cuello G. J., González M. A., Richardson Jr J. W., Criado A., Ramos M. A., Vieira S., Cumbrera F. L., and González L. M. (2002), Phys. Rev. Lett. 88, 115506–1–4
Sivia D., and Skilling J., Data Analysis: A Bayesian Tutorial, Oxford University Press isbn: 978-0-19-856832-2 (2006)
Pardo L. C., Bermejo F. J., Tamarit J. Ll., Cuello G. J., Lunkenheimer P., and Loidl A. (2007) J. Non-Crys. Sol. 353 (8–10), 999–1001
For reviews on applications of the method see McGreevy R. L. (2001) J. Phys.: Condens. Matter 13, R877; Evrard G., and Pusztai L. (2005) J. Phys.: Condens. Matter (Special Issue) 17, S1
see http://www.isis.rl.ac.uk/Disordered/DMGroup/DM_epsr.htm and references therein
Karlsson L., and McGreevy R. L. (1997) Physica B, 100, 234–236
Jedlovszky P., Vincze A., and Horvai G. (2004) Phys. Chem. Chem. Phys. 6, 1874
Breymann W., and Pick R. M. (1989) J. Chem. Phys. 91, 3119; More M., Lefebvre J., Hennion B., Powell B. M., and Zeyen, C.M. E. (1980) J. Phys. C 13, 2833; Rey R. (2008) J. Phys. Chem. B, 112(2), 344–357
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2010 Springer Science+Business Media B.V.
About this paper
Cite this paper
Pardo, L.C., Rovira-Esteva, M., Tamarit, J.L., Veglio, N., Bermejo, F.J., Cuello, G.J. (2010). A Procedure to Quantify the Short Range Order of Disordered Phases. In: Rzoska, S., Drozd-Rzoska, A., Mazur, V. (eds) Metastable Systems under Pressure. NATO Science for Peace and Security Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-3408-3_6
Download citation
DOI: https://doi.org/10.1007/978-90-481-3408-3_6
Publisher Name: Springer, Dordrecht
Print ISBN: 978-90-481-3406-9
Online ISBN: 978-90-481-3408-3
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)