X ray diffraction

T
Taimoor Akhter AkhterStudent at Akhuwat F.I.R.S.T Faisalabad

x ray diffraction techneque and its principle working procedure

Content 04 techniques of biotechnology
Contact ::03078685893 taimoorakhter001@gmail.com
Akhuwat F.I.R.S.T (Faisalabad institute of research science and technology)
[Type here]
X-Ray Diffraction (XRD)
X-ray diffraction (XRD) relies on the dual wave/particle nature of X-rays to obtain information about the
structure of crystalline materials. A primary use of this technique is the identification and
characterization of compounds based on their diffraction pattern.
PRINCIPLE
The dominant effect that occurs when an incident beam of monochromatic X-rays interacts with a target
material is scattering of those X-rays from atoms within the target material. In materials with regular
structure (i.e. crystalline), the scattered X-rays undergo constructive and destructive interference. This is
the process of diffraction.
The diffraction of X-rays by crystals is described by Bragg’s Law
, nµ = 2d sin(Ɵ).
Procedure
The directions of possible diffractions depend on the size and shape of the unit cell of the material. The
intensities of the diffracted waves depend on the kind and arrangement of atoms in the crystal
structure. However, most materials are not single crystals, but are composed of many tiny crystallites in
all possible orientations called a polycrystalline aggregate or powder. When a powder with randomly
oriented crystallites is placed in an X-ray beam, the beam will see all possible interatomic planes. If the
experimental angle is systematically changed, all possible diffraction peaks from the powder will be
detected.
This geometry offers the advantages of high resolution and high beam intensity analysis at the cost of
very precise alignment requirements and carefully prepared samples. Additionally, this geometry
requires that the source-to-sample distance be constant and equal to the sample-to-detector distance.
Alignment errors often lead to difficulties in phase identification and improper quantification. A mis-
positioned sample can lead to unacceptable specimen displacement errors. Sample flatness, roughness,
and positioning constraints preclude in-line sample measurement. Additionally, traditional XRD systems
are often based on bulky equipment with high power requirements as well as employing high powered
X-ray sources to increase X-ray flux on the sample, therefore increasing the detected diffraction signals
from the sample. These sources also have large excitation areas, which are often disadvantageous for
the diffraction analysis of small samples or small sample features.
Effect of polycapillary optics
Polycapillary X-ray optics can be used to overcome many of these drawbacks and constraints to enhance
XRD applications. Polycapillary collimating optics convert a highly divergent beam into a quasi-parallel
beam with low divergence. They can be used to form a Parallel Beam XRD instrument geometry which
greatly reduces and removes many sources of errors in peak position and intensity inherent to the
parafocusing geometry, such as sample position, shape, roughness, flatness, and transparency.
Polycapillary focusing optics collect X-rays from a divergent X-ray source and direct them to a small
Content 04 techniques of biotechnology
Contact ::03078685893 taimoorakhter001@gmail.com
Akhuwat F.I.R.S.T (Faisalabad institute of research science and technology)
[Type here]
focused beam at the sample surface with diameters as small as tens of micrometers for micro X-ray
diffraction applications of small samples or small specimen features. Both types of polycapillary optics
direct very high X-ray intensities to the sample surface, such that XRD systems employing optics can use
low power X-ray sources, reducing instrument size, cost, and power requirements.
Application
X-ray diffraction using X-ray optics has been applied to many different types of applications including
thin film analysis, sample texture evaluation, monitoring of crystalline phase and structure, and
investigation of sample stress and strain.
X-ray crystallography
Is a tool used for identifying the atomic and molecular structure of a crystal, in which the crystalline
atoms cause a beam of incident X-rays to diffract into many specific directions. By measuring the angles
and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of
the density of electrons within the crystal. From this electron density, the mean positions of the atoms
in the crystal can be determined, as well as their chemical bonds, their disorder and various other
information.

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X ray diffraction

  • 1. Content 04 techniques of biotechnology Contact ::03078685893 taimoorakhter001@gmail.com Akhuwat F.I.R.S.T (Faisalabad institute of research science and technology) [Type here] X-Ray Diffraction (XRD) X-ray diffraction (XRD) relies on the dual wave/particle nature of X-rays to obtain information about the structure of crystalline materials. A primary use of this technique is the identification and characterization of compounds based on their diffraction pattern. PRINCIPLE The dominant effect that occurs when an incident beam of monochromatic X-rays interacts with a target material is scattering of those X-rays from atoms within the target material. In materials with regular structure (i.e. crystalline), the scattered X-rays undergo constructive and destructive interference. This is the process of diffraction. The diffraction of X-rays by crystals is described by Bragg’s Law , nµ = 2d sin(Ɵ). Procedure The directions of possible diffractions depend on the size and shape of the unit cell of the material. The intensities of the diffracted waves depend on the kind and arrangement of atoms in the crystal structure. However, most materials are not single crystals, but are composed of many tiny crystallites in all possible orientations called a polycrystalline aggregate or powder. When a powder with randomly oriented crystallites is placed in an X-ray beam, the beam will see all possible interatomic planes. If the experimental angle is systematically changed, all possible diffraction peaks from the powder will be detected. This geometry offers the advantages of high resolution and high beam intensity analysis at the cost of very precise alignment requirements and carefully prepared samples. Additionally, this geometry requires that the source-to-sample distance be constant and equal to the sample-to-detector distance. Alignment errors often lead to difficulties in phase identification and improper quantification. A mis- positioned sample can lead to unacceptable specimen displacement errors. Sample flatness, roughness, and positioning constraints preclude in-line sample measurement. Additionally, traditional XRD systems are often based on bulky equipment with high power requirements as well as employing high powered X-ray sources to increase X-ray flux on the sample, therefore increasing the detected diffraction signals from the sample. These sources also have large excitation areas, which are often disadvantageous for the diffraction analysis of small samples or small sample features. Effect of polycapillary optics Polycapillary X-ray optics can be used to overcome many of these drawbacks and constraints to enhance XRD applications. Polycapillary collimating optics convert a highly divergent beam into a quasi-parallel beam with low divergence. They can be used to form a Parallel Beam XRD instrument geometry which greatly reduces and removes many sources of errors in peak position and intensity inherent to the parafocusing geometry, such as sample position, shape, roughness, flatness, and transparency. Polycapillary focusing optics collect X-rays from a divergent X-ray source and direct them to a small
  • 2. Content 04 techniques of biotechnology Contact ::03078685893 taimoorakhter001@gmail.com Akhuwat F.I.R.S.T (Faisalabad institute of research science and technology) [Type here] focused beam at the sample surface with diameters as small as tens of micrometers for micro X-ray diffraction applications of small samples or small specimen features. Both types of polycapillary optics direct very high X-ray intensities to the sample surface, such that XRD systems employing optics can use low power X-ray sources, reducing instrument size, cost, and power requirements. Application X-ray diffraction using X-ray optics has been applied to many different types of applications including thin film analysis, sample texture evaluation, monitoring of crystalline phase and structure, and investigation of sample stress and strain. X-ray crystallography Is a tool used for identifying the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their disorder and various other information.