Hello everyone, I want to study my material morphology that is in different shape. I want to study according to BFDH theory. Can anyone help me in understanding this theory or could share some to the point literature which help me in understanding easily and how to apply to different morphology? Thanking you all. Any clear and to the point literature will be highly appreciated.
Look first at this section:
http://www.esi.umontreal.ca/accelrys/life/cerius46/proppred/Morphology.doc.html
Th BFDH law explains the morphology based on the d(hkl) values as reproduced in an XRD pattern. Hence taking into account the extinction rules caused by the presence of glide planes, screw axis en cell centering. The thicker the interplanetary spacing is the more morphologically important is the related crystal form {hkl}.
May be a more appropiate scientific paper is that of Hartman and Perdok, also available on internet:
http://www.minsocam.org/ammin/AM41/AM41_449.pdf
Dear Cornelis F. Woensdregt and Alexandru Moldovan thank you for your informative answers and literature. I am interesting in calculating myself the data and then want to correlate my results with that data. I shall be thankful to you if you could guide me accordingly.
Dear Jafar,
it is well known that the BFDH "theory" is the most ancient model proposed to foresee the "theoretical growth morphology of crystals". It is a nice model, limited by the fact that it is based only on geometrical properties of crystals. This means that physical and chemical-physical properties are not considered to interpret the results of growth which is a kinetic process.
To overcome this drawback, Hartman and Perdock proposed (70 years ago) the method of finding the Periodic Bond Chains (PBC) which build up a crystal structure. Since their work, that introduced the energy in the growth morphology, a lot of papers has been published where a comparison is made between the BFDH and the PBC method.
The following papers are fundamental to deeply understand this interesting topics:
Modern PBC theory by P. Hartman, in Morphology of Crystals, Ed. I. Sunagawa, Terrapub, Tokyo, 1987, pp 269-319
Structure and Morphology, by P. Hartman, in "Crystal Growth: An Introduction", Ed. P. Hartman, North Holland, Amsterdam, 1973, pp. 367-402
On the validity of Donnay -Harker law, by P. Hartman Canadian Mineralogist, 16 (1978), 387-391
Finally, I would like to help you in such a calculation, if you are interested in.
Don't hesitate to contact me.
Thanks for your attention
Dino
The review paper will be helpful as follow，
P. Dandekar, Z.B. Kuvadia, M.F. Doherty, Engineering crystal morphology, Ann Rev Mater Res, 43 (2013) 359-386.
Alexandru Moldovan Thanks for your comment. Please I need a solution to this if any one above could assist, it will be great.
I am presently synthesizing a number of MOFs , and at same time working with Material Studio owned by Bovia. I actually want to predict the morphology (using the Morphology modules in MS) of any MOF from their cif structure, but I'm having some difficulties. I've succeeded in predicting morphologies of structures containing discrete non-connected units and was able to get not only their miller indices, but also their attachment energies. I wanted to apply same to MOFs cif structures, but after setting up all the needed parameters in Morphology Modules, and clicked on RUN button, a pop up query comes up:
"The input crystal contains an infinite network of atoms. This calculation requires that the crystal is formed from isolated molecule".
Hence, I usually end up using the BFDH task, that does not generate attachment energies of facet habit. Please kindly assist me to resolve this issue, as I need to obtain the various attachment energies as much as I need the hkl, dhkl, distances,and Total areas as well.
Thank you. I look forward to your kind response.
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