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Application of Bravais-Friedel-Donnay-Harker, attachment energy and Ising models to predicting and understanding the morphology of molecular crystals

R Docherty, G Clydesdale, K J Roberts and P Bennema

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The development of structural models for predicting the external morphology of crystalline materials is presented and discussed in terms of their applications to molecular crystals. The predicted crystal morphologies of a number of molecular materials including alpha -sulphur, naphthalene, benzoic acid and hexamine are presented using the Bravais-Friedel-Donnay-Harker, attachment energy and Ising models. The results of the various models are compared both against each other and against the experimentally observed morphologies.


PACS

61.66.Bi Elemental solids

61.50.Ah Theory of crystal structure, crystal symmetry; calculations and modeling

61.66.Hq Organic compounds

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 2 (14 February 1991)



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