This document provides an overview of X-ray diffraction (XRD). It begins with a brief introduction and description of the basic components and operating procedure for an XRD machine. It then discusses the shut down procedure and how to analyze an XRD pattern, including identifying the significance of peaks and applications of XRD. Key applications mentioned are identifying crystalline phases, determining structural properties, and measuring thin film thickness. References for further reading are also provided.

1. A
SEMINAR ON
XRD
K. GANAPATHI RAO
(13031D6603)
Presented
By
Presence of
Mr. D. RAKESH

2. Introduction
Constructive and Destructive
Basic components
Operating Procedure
Shut down procedure
XRD pattern
Significance of Peak
Applications of XRD
Most important uses of XRD
References

3. The atomic planes of a crystal cause an
incident beam of X-rays to interfere with
one another as they leave the crystal.
The phenomenon is called X-ray
diffraction.

4. Bragg developed a relationship in 1913 to explain why the
cleavage faces of crystals appear to reflect X-ray beams at
certain angles of incidence.
(Roentgenstrahlinterferenzen), commonly known as X-ray
diffraction (XRD), and was direct evidence for the periodic
atomic structure of crystals postulated for several centuries.

6. D8 machine
PC + UPS
Chiller

8. Switch on system
Switch on D8 machine and press green button
on D8 machine
Switch on chiller
Click on D8 icon on system
Click on “Online status”
Click on “Online refresh”

9. Go to “x-Ray generator” icon
Then click “X-Ray software safety capture
register”
Go to “Utilities”
Go to “X-Ray Hardware safety capture register”
through X-Ray
Go to “X-Ray ware safety capture register”
through X-Ray
Enter password as designed “*******”, ok
Go to positioning Drives
Then initialize the theta, 2 theta, spinner step
by step, by clicking adjust symbol

10. Switch on X-Ray generator power supply, by
rotating knob in clock wise direction (4 sec, upto
x-rays on)
Close D8 tools window
Open x-ray commander symbol
Then increase kV & mA gradually, up to 40kV,
30mA
Click open door for insert sample
Then insert sample
And give 2 theta, scan speed, step size
Start
Save as .raw file

11. Gradually decrease kV and mA up to 20kV, 5mA
Click on Init Drives for initializing drives on main
menu
Close window
X-ray off by rotating anticlock wise direction
Shut down system
Swithoff D8 power and chiller

14. Peak position
Peak width
Peak intensity

15. XRD is a nondestructive technique
To identify crystalline phases and orientation
To determine structural properties: (Lattice parameters
(10-4Å), strain, grain size, expitaxy, phase composition,
preferred orientation , (Laue) order-disorder
transformation, thermal Expansion
To measure thickness of thin films and multi-layers*
To determine atomic arrangement
Tooth enamel & dentine have been examined.

16. Obtain XRD pattern
Measure d-spacings
Obtain integrated intensities
Compare data with known standards in the
JCPDS file, which are for random orientations
(there are more than 50,000 JCPDS cards of
inorganic materials)
(Joint Committee on Powder Diffraction
Standards)

17. http://pubs.rsc.org/en/Content/ArticleLanding/1991/J
M/jm9910100511#!divAbstract
http://www.iucr.org/publ/50yearsofxraydiffraction
http://en.wikipedia.org/wiki/X-ray_crystallography
http://webmineral.com/help/XRayDiffraction.shtml#.U
7VsJfmSydw
http://serc.carleton.edu/research_education/geochem
sheets/techniques/XRD.html
http://web.pdx.edu/~pmoeck/phy381/Topic5a-
XRD.pdf