To the best of my knowledge, the best method for studying crystalline defects forming or increasing in concentration due to plastic deformation in metals is the Warren-Averbach method. Of course, excluded from this are point defects, provided no vacancy coalescence
occurs whereby an edge dislocation line is formed.

Indeed, the said method was specifically developed in the late 40s, early 50s for the analysis of such defects in work-hardened (a.k.a cold worked) metals and alloys. A good account of the said method is given in several chapters of Ray Young's Rietveld Method book, wherein one may find a rather comprehensive list of references as well. Single line Warren-Averback analysis is very well discussed in Young's book. Further details can be found in the book by Warren himself, although it is mostly a book on X-ray scattering and such. However, therein one would find the derivation of the said method. Warren's book is re-published by Dover Publications, and is available at a reasonable cost ($20 or so).

A quick reminder: In my humble opinion, the term crystallite size is not only misleading but also outdated in the era of nano-materials, technology, _______(fill in the blanks as you see fit) :-). First and foremost, what is really measured in the Warren-Averbach method is the so-called coherently diffracting domain size, which is nothing but the volume element in a given crystalline material which is free from defects (excluding point defects). Hence, the comparison of this domain size with the characteristic physical dimension of the specimen in question provide one with some insight into the level of crystalline perfection of the same. For instance, the comparison of particle size, as measured by FESEM or TEM, with the crystallite size is a good measure of the said crystalline perfection in that particle. Especially for materials with cubic symmetry, which is the closest point group to the spherically symmetric Curie Group, the <111> crystallite size has traditionally been used as the <111> planes (total 8) mimic the spherical symmetry well. However, in systems such as perovskites, it might be interesting to measure the <110> crystallite size as the dislocation slip system (although disclocations in perovskites are sessile) is {110}<110>.

And finally...I believe it is time to replace the term "crystallite size" with "crystal size" in the literature since what has been deemed very small (hence the term crystallite) in the 1950s is now considered "massive" in the 2000s, and anything larger
than 100 nm in size is not even considered part of the nano-realm.

Best wishes,

Koray


Angel L. Ortiz wrote:
Dear All:

I have the following question.
Which is a proper definition of the crystallite size measured by XRD
(line-broadening methods) in metals and alloys deformed plastically where
there are abundant faults, twins and dislocations? In other words, from the
XRD viewpoint, the boundaries of the crystallites are what (twin boundary,
high density dislocation wall, and what)? May I ask for a list of your
understanding of the boundaries for XRD crystallites?.
I guess that most of you will say that the size provided by X-ray
diffraction corresponds to the average of the regions in the material
diffraction coherently. But, such domains are undistorted, distorted or
what?. Can such domain contains dislocations in their interior, or point
defects, or what?
Thanks in advanced

Angel


--
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E. K. Akdogan, Ph.D.
Research Associate
Electroceramics Research Group
IEEE Senior Member  2005

Chair, Education Committee
IEEE Ultrasonics, Ferroelectrics, Frequency Control Society
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Dept. of Materials Science & Engineering
Rutgers University,
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