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CO-1 - Crystallography Defects-Compressed

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23 views105 pages

CO-1 - Crystallography Defects-Compressed

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Applied Physics

Course Code:SEPH0009

Dr. N.S.M.P.Laha Devi


Course Co-ordinator & Associate Professor

Department of Engineering Physics


Koneru Lakshmaiah Education Foundation 1
Syllabus
• Crystal Structures: Space lattice, basis, unit cell, Seven Crystal
systems, Bravais lattices, coordination number, atomic packing
fraction of SC, BCC, FCC and HCP, Miller indices, Crystal planes
directions. Crystal defects: Point Defects, Line Defects, Surface
Defects, Volume Defects, and Effects of defects on crystalline
properties
• Lasers: Introduction – Characteristics of laser – Spontaneous and
Stimulated emissions of radiation – Einstein’s coefficients –
Population inversion – Lasing action – Pumping mechanisms – Ruby
laser – He-Ne laser – Applications of lasers
• Fiber optics: Introduction –Principle of optical fiber- Acceptance
Angle – Numerical Aperture – Classification of optical fibers based on
refractive index profile and modes – Propagation of electromagnetic
wave through
29-12-2023 02:42 optical fibers –Fiber optic
Dr. Mahamuda Shaik sensors. 2
Syllabus
• Magnetism in materials: Basic definitions of magnetism, susceptibility, origin of
magnetic moment, classification of magnetic materials, Dia, Para, Ferro, ferri and
anti-ferro magnetic material properties, Curie and Neel temperatures; Domain
theory of ferromagnetism (qualitative), Hysteresis, hard and soft magnetic
materials and their applications: Sensing of magnetic field, magnetic tape
recording, Transformers, spintronics.
• Quantum concepts: Bohr model, Black body radiation, photoelectric effect, dual
nature of matter waves, Davisson Germer experiment, Heisenberg uncertainty
principle. Schrodinger time independent wave equation, One dimensional
problem of particle in a box.
• Text Books
• William D. Callister,Jr. “Materials Science and Engineering: An Introduction” 6th edition, 2007, Wiley
India Pvt.Ltd
• Charles Kittel, ” Introduction to Solid State Physics” 8th edition, 2012, Wiley India Pvt.Ltd.
• Patil. S. H., Elements of Modern Physics, Tata McGraw-Hill 1983, ISBN 10: 87933326X
• Reference Textbooks
• Arthur Beiser, Perspectives of Modern Physics - McGraw-Hill, 1968- Science. ISBN 0-07-115096-X
29-12-2023 02:42 Dr. Mahamuda Shaik 3
Evaluation Plan Attendance – 85%

12/29/2023 4
Chapter 1
Crystallography

12/29/2023
5
Session 1

12/29/2023 6
Classification of matter

Matter

GASES LIQUIDS SOLIDS

Quasicrysta
Amorphous Crystals
ls

Single
Polycrystals
Crystals
12/29/2023 7
Crystalline Solids Amorphous Solids
• Regular arrangement of • No regular arrangement of
atoms along the 3 D. atoms.
• Have long range order. • Have short range order.
• Sharp melting point. • No sharp melting point.
• High and fixed heat of • No fixed heat of fusion.
fusion.
• They are anisotropic. • They are isotropic.
• They show all • They don’t show all
characteristic of solids. characteristics of solids.
• They have regular cut. • They give irregular cut.

12/29/2023 8
Two dimensional representation of Single, poly
crystalline and amorphous materials
12/29/2023 9
Basic Definitions
a
Linear
Lattice

Lattice Plane
Lattice
• An infinite array of points
• Each point will have
Space
Identical surrounding.
Lattice
y
b
Translation vector
B

→ → → b
OB = 2 a + b O
→ x
a
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2a 10
Basis
An atom or group of atoms (or ions) which when
attached to every lattice points produces the crystal
structure.
Basis

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Lattice + Basis = Crystal structure 11
Unit Cell:
✓ Small geometrical figure in space lattice whose repetition in
all directions gives actual crystal structure

• Smallest repeatable unit in a point Lattice.


• Choice of unit cell is not unique
There are two distinct types of unit cell:
• Primitive unit cell
• Non-primitive unit cell

12/29/2023 12
UNIT CELL

Primitive Non-primitive

• More than one lattice point


• Single lattice point per cell
per cell
• Smallest area in 2D, or
• Integral multibles of the are
• Smallest volume in 3D
of primitive cell

Simple cubic(sc) Body centered cubic(bcc)


Conventional = Primitive cell Conventional ≠ Primitive cell
12/29/2023 13
Crystallographic axes
✓ Axes resulted by the intersection of the three non-coplanar
faces of the unit cell.
✓ The angles between these faces or crystallographic axes
are known as interfacial or inter-axial angles.

Lattice parameters
✓ The translational vectors (or primitives) a, b, c of a unit cell
along X, Y, Z axes and inter-axial angles α, β, γ

 : Angle between the axes Y and Z


 : Angle between the axes Z and X
 : Angle between the axes X and Y

12/29/2023 14
Session 2

12/29/2023 15
Crystal systems

1. Cubic Crystal System

12/29/2023 a=b=c  =  =  = 90° 16


2.Tetragonal system

a=bc  =  =  = 90°
12/29/2023 17
3. Orthorhombic system

abc  =  =  = 90°
12/29/2023 18
4. Monoclinic system

abc  =  = 90°,   90°


12/29/2023 19
5. Triclinic system


abc       90°
12/29/2023 20
6. Rhombohedral (Trigonal) system

a=b=c  =  =   90°

12/29/2023 21
7. Hexagonal system

a=bc =  = 90°,  = 120°

12/29/2023 22
Summary of crystal systems

12/29/2023 23
12/29/2023 Click here Crystal systems 24
Bravais Lattice
✓ An infinite array of discrete points generated by a set of discrete
translation operations described by
R = n1a1 + n2 a2 + n3a3
where ni are integers and ai are primitive vectors
✓ 14 Bravais lattices are possible in 3-dimentional space.
✓ These are obtained by combination of lattice system with lattice
types
✓ Lattice system (crystal system): gives the information regarding
the lattice parameters
✓ Lattice types: Gives the information about lattice points present
in the unit cell.

12/29/2023 25
Lattice types

Primitive Body Face Base


(P) centered (I) centered (F) centered (C)

1  1
n =  8   + (1) = 2 n =  8   +  6   = 4 n =  8   +  2   = 2
1 1 1 1
n = 8 = 1
8  8  8  2  8  2

12/29/2023 26
Lattice types (animation)
14 Bravais lattices
Body Face Base
Primitive
Crystal system centered centered centered
(P)
(I) (F) (C)

Cubic ✓ ✓ ✓ 
Tetragonal ✓ ✓  
Orthorhombic ✓ ✓ ✓ ✓
Monoclinic ✓   ✓
Triclinic ✓   
Rhombohedral ✓   
Hexagonal ✓   
12/29/2023 27
Click here for animation for 14 Bravais lattices
Session 3 & 4

12/29/2023 28
Atomic Packing Factor or Packing Fraction
✓ It is the ratio of volume occupied by the atoms in a unit cell to the
total volume of the unit cell.
Volume of packed ions
Packing fraction (%) =
Volume of primitive unitcell
Volume of packed ions
= ×Z
Volume of unitcell
4 3
r
= 3 3 Z
a
where, r = radius of atoms
a = unit cell edge
Z = no. of lattice points per unit cell
✓ Now, we are going to apply this for three crystal structures
having cubic symmetry
• Simple cubic
• Body centered cubic
• Face centered cubic
12/29/2023 29
12/29/2023 30
Relation between atomic radius and edge length

12/29/2023 31
Simple cubic Body centered Face centered
cubic cubic

r =a/2 Z=1 r = 3a / 4 Z=2 r =a/2 2 Z=4


4 3 4 3
4 3
r r r
PF = 3 3  Z PF = 3 3  Z PF = 3 3  Z
a a a

PF = 52% PF = 68% PF = 74%


12/29/2023 32
Session 5,6 & 7

12/29/2023 33
CRYSTAL DIRECTIONS

12/29/2023 34
CRYSTAL PLANES

12/29/2023 35
Inter-planar spacing in
Crystals
✓ The inter-planar spacing between any crystallographic planes
belonging to the same (h,k,l) family is denoted by (dhkl).
✓ Distances between planes defined by the same set of Miller
indices are unique for each material.

12/29/2023 36
Inter-planar spacing in different crystal systems

✓ Inter-planar spacing in other crystal system is more complex


in nature
12/29/2023 37
Miller Indices
✓ A notation of planes in Bravais lattices
✓ Miller Indices are the reciprocals of the fractional intercepts
(with fractions cleared) which the plane makes with the
crystallographic x, y, z axes of the three nonparallel edges of the
cubic unit cell.
✓ The orientation of planes or faces in a crystal can be described
in terms of their intercepts on the three axes.
✓ Miller introduced a system to designate a plane in a crystal.
✓ He introduced a set of three numbers to specify a plane in a
crystal.
✓ This set of three numbers is known as ‘Miller Indices’ of the
concerned plane.
12/29/2023 38
✓ Different lattice planes in a crystal

12/29/2023 39
Procedure for finding Miller Indices
✓ Determine the coordinates of the intercepts made by the plane
along the three crystallographic axis.
✓ Express the intercepts as multiples of unit cell dimensions or
lattice parameters along the axes.
✓ Determine the reciprocals of these number.
✓ Reduce these reciprocals into the smallest whole numbers by
multiplying each with their L.C.M to get the smallest whole
number.
✓ Enclose the smallest whole numbers in ( )
✓ This give the Miller indices (h k l) of the plane.

12/29/2023 40
Crystal planes

12/29/2023 41
Important features of Miller indices

✓ If a plane is parallel to any of the coordinate axis, then its


intercepts will be infinity.
✓ All the parallel equidistant planes have the same Miller Indices.
✓ Miller Indices define a set of equidistant parallel planes.
✓ If the Miller Indices of two planes have the same ratio then the
planes are parallel to each other.
✓ If (hkl) are the Miller Indices of a plane, then the plane cuts the
axis into h, k and l equal parts.

12/29/2023 42
SUMMARY OF MEANINGS OF PARENTHESES

(q,r,s) represents a point – note the exclusive use of


commas

[hkl] represents a direction


<hkl> represents a family of directions

(hkl) represents a plane


{hkl} represents a family of planes

12/29/2023 43
Crystal planes

12/29/2023 44
Crystallographic Planes
z
example a b c
1. Intercepts 1 1  c
2. Reciprocals 1/1 1/1 1/
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
example a b c
1. Intercepts 1/2   c
2. Reciprocals 1/½ 1/ 1/
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (100) a b
x
12/29/2023 45
Crystallographic Planes
z
example a b c c
1. Intercepts 1/2 1 3/4 •
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 • y

3. Reduction 6 3 4 a b

4. Miller Indices (634) x

Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)


12/29/2023 46
Q3: Determine the miller indices for the planes shown in
the following unit cell

12/29/2023 47
Q4: What are Miller Indices? Draw (111) and (110) planes in a
cubic lattice.

Q5: Sketch the following planes of a cubic unit cell (001), (120),
(211)

Q6: Obtain the Miller indices of a plane which intercepts at a, b/2


and 3c in simple cubic unit cell. Draw a neat diagram showing the
plane

12/29/2023 48
Session 8

12/29/2023 49
12/29/2023 2:42 AM Dr. Mahamuda Shaik 50
CONTENTS
❑ Introduction

❑ Crystal Defects

❑ Types Of Crystal Defects

❑ Effects Of Crystal Imperfections

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 51


Crystalline Solids Amorphous Solids
• Regular arrangement of • No regular arrangement of
atoms along the 3 D. atoms.
• Ex: Diamond, NaCl, KCl, • Ex: Glasses, Plastic, Rubber,
Copper, Iron, etc. ceramics

Poly Crystalline

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 52


Ideal crystal
The crystal in which the atomic arrangement is
perfectly regular and continuous throughout the
crystal
Real crystals are not perfect
The "right" atoms in "wrong" places

"Wrong" atoms in "right" or "wrong" places

Missing atoms

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 53


Why study of Defects in Solids is
important ?
1. A better understanding of them and how
they affect the materials

2.Exploration of possibilities of minimizing


or improving these defects for achieving
desired applications in materials

12/29/2023 2:42 AM Dr. Mahamuda Shaik 54


Imperfection or Defect

12/29/2023 2:42 AM Dr. Mahamuda Shaik 55


Depending upon the Geometry
Imperfections /
Defects

Point Line Surface Volume


Defects Defects Defects Defects

Edge Grain
Vacancies cracks
Dislocation Boundaries

Screw Tilt Voids or Air


Interstitials Dislocation Boundaries Bubbles

Twin
Impurities Boundaries

Stacking
Electronic Faults
Defects

Ferromagnetic
Domain Walls

12/29/2023 2:42 AM Dr. Mahamuda Shaik 56


They are also known as
Zero Dimensional Imperfections

Size: one / two atomic diameters


Point Defect – 1:Vacancy
A Vacancy refers to an atomic site from where the
atom is missing

If one or two or three atoms are missed referred as


single or double or triple vacancies respectively

12/29/2023 2:42 AM Dr. Mahamuda Shaik 58


Vacant atomic sites in materials cause
Distortion in Lattice Planes

Vacancy
distortion
of planes

12/29/2023 2:42 AM Dr. Mahamuda Shaik 59


A pair of cation and anion missing from an ionic
crystal resulting in a pair of vacant ion sites is called
schottky imperfection

12/29/2023 2:42 AM Dr. Mahamuda Shaik 60


Point Defect –2:
An Interstitial defect arises when an atom occupies a
definite position in the lattice that is not normally
occupied in the perfect crystal.

By giving enormous stress or compressive force to a


crystal , some of the atoms dislodge from their lattice
sites and occupy the voids or interstitials present in the
lattice. These type of imperfections are known as Self
Interstitial Imperfections

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 61


Frenkel imperfection:
An ion displaced from a regular site to an
interstitial site is called frenkel imperfection.
A vacancy + An interstitial site

12/29/2023 2:42 AM Dr. Mahamuda Shaik 62


Intrinsic Defects

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 63


Point Defect – 3: Impurities
1. They give rise to compositional defects
2. They occur in Metallic, Ionic and covalent Solids

They are Two types

✓ Substitutional Impurity
✓ Interstitial Impurity

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 64


Substitutional impurity
A Substitutional impurity refers to a foreign atom
that has replaced a parent atom

Compressive stress Tensile Stress


fields Fields

Ex: During the production of brass alloy, Zinc atoms are doped in copper
lattice
12/29/2023 2:42 AM Dr. Mahamuda Shaik 65
Interstitial Impurity
An Interstitial impurity refers to small sized atom
occupying the void space in the parent crystal without
replacing the parent atoms

Relative
size

Compressive
Stress
Fields

12/29/2023 2:42 AM Dr. Mahamuda Shaik 66


Point Defects-4: Electronic Defects
Non uniform charge distribution in solids are called
electronic defects. These defects are produced when the
composition of an ionic crystal does not correspond to the
exact stoichiometric formula.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 67


Effect of crystal imperfections and their
applications
Substitutional Impurity
A crystal of pure alumina is transparent and colorless,
but when we add a small amount of chromium, it
creates a defect resulting in a beautiful red ruby
crystal

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 68


Mixture of impurities (Fe2+, Fe3+, and Ti4+) gives
the deep blue of sapphire

• 24K gold - pure gold -100 per cent gold -


99.9 % - Bright yellow color.
• 22K gold - 91.6 % gold - 8.33% metals
like silver, zinc, nickel and other alloys-
texture of gold harder
• 18K gold, 18K gold is 75% gold mixed with
25 per cent of other metals like copper or
silver etc.
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 69
ALLOYING
Pure iron is soft. Addition of small amount of
carbon increases its strength.
1. Steel:
Carbon atoms added in small amounts as interstitial impurities to
Iron makes Steel, which is stronger than Pure Iron.

2. Sterling silver:
Pure silver when alloyed with 7.5% copper gives sterling silver
is 92.5% silver which is stronger than pure silver.

3. Steel:
The inclusion of one or more transition metals or semimetals
can improve the corrosion resistance of steel.
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 70
Semi conductors

To improve the electrical conductivity

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 71


Session 9

12/29/2023 72
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 73
•Line Defects / Linear Defects / Dislocations: A disturbed
region between two substantially perfect parts of a crystal

• These are one dimensional imperfections in the geometrical


sense.

•Dislocations are areas were the atoms are out of position in the
crystal structure.

•They arise due to


✓ Growth Accidents
✓ Thermal Stresses
✓ External stresses causing plastic flow
✓ Phase transformations
✓ Segregation of solute atoms causing mismatches
12/29/2023 2:42 AM Dr. Mahamuda Shaik 74
Line
Defects

Edge Screw
Dislocation Dislocation

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 75


Edge Dislocation
• In perfect crystal atoms are arranged in both vertical and
horizontal planes parallel to the side faces.

• If one of these planes does not extend to the full length but
ends in between within the crystal it is called edge
dislocation.

• Edge dislocation are caused by the termination of a plane of


atoms in the middle of the crystal.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 76


12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 77
12/29/2023 2:42 AM Dr. Mahamuda Shaik 78
Edge dislocation

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 79


✓ Edge dislocation moves parallel to the direction of
stress.

✓ It can be easily visualized as an extra half-plane of


atoms in a lattice.

✓ The locus of defective points produced in the lattice


by the dislocation lie along a line.

✓ The inter-atomic bonds are significantly distorted only


in the immediate vicinity of the dislocation line.
12/29/2023 2:42 AM Dr. Mahamuda Shaik 80
12/29/2023 2:42 AM Dr. Mahamuda Shaik 81
Screw Dislocation
✓ It results from a displacement of the atoms in one part of
a crystal relative to the rest of the crystal forming a spiral
ramp around the dislocation line.

✓ The motion of a screw dislocation is a result of shear


stress.

✓ But the defect line movement is perpendicular to direction


of the stress and the atom displacement, rather than
parallel.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 82


Screw
Dislocation Slip Planes

Slip Direction

12/29/2023 2:42 AM Dr. Mahamuda Shaik 83


12/29/2023 2:42 AM Dr. Mahamuda Shaik 84
Burger’s Vector

12/29/2023 2:42 AM Dr. Mahamuda Shaik 85


Malleability and Ductility

12/29/2023 2:42 AM Dr. Mahamuda Shaik 86


Session 10

12/29/2023 87
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 88
Grain boundaries

Tilt boundary

Surface or Interfacial
Defects Twist boundary

Twin boundary

Stacking defects

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 89


✓ These are two dimensional defects.
✓ Arises due to change in stacking of atomic planes
during mechanical and thermal treatments.
✓ The change may be of orientation or the stacking
sequence of the planes.
✓ Surface defects refer to regions of distortions that lie
about a surface having thickness of a few atomic
diameters

12/29/2023 2:42 AM Dr. Mahamuda Shaik 90


Grain Boundaries (or) Crystal

Boundary
Crystalline solids are made up of grains.
• Grain boundaries are several atoms distances wide, and
there is mismatch of orientation of grains on either side of
the boundary.
• Chemically more reactive.
• When the mismatch in the
orientation is less than 10°
it is called low angle
boundaries.
• When the mismatch in the
orientation is larger than
15° it is known as high
angle boundaries
12/29/2023 2:42 AM Dr. Mahamuda Shaik 91
Tilt Boundaries
❑ If the low grain boundary is formed by edge
dislocations, it is called tilt boundary.
❑ A tilt boundary, between two slightly mis-aligned
grains as an array of edge dislocations.
❑ Rotation axis is parallel to the boundary plane.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 92


✓ If the low grain boundary is formed by screw
dislocations, it is called twist boundary .
✓ Rotation axis is perpendicular to the boundary plane.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 93


Twin Boundaries
❖ It is a special type of grain boundary.
❖ These are the boundaries in the grains at which the
atomic arrangement on one side of the boundary is the
mirror image of the atoms on the other side.
❖ Twins result from
❖ atomic displacements that are produced by shear
deformation.
❖ During annealing heat treatments
❖ The region between the pair of boundaries is called
the twinned region.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 94


12/29/2023 2:42 AM Dr. Mahamuda Shaik 95
✓ Twinning occurs on a definite crystallographic plane and in
a specific direction, both of which depend on the crystal
structure.
✓ Annealing twins are typically found in metals that have
FCC crystal structure.
✓ While mechanical/deformation twins are observed in BCC
and HCP metals.
✓ Annealing twins are usually broader and with straighter
sides than mechanical twins.
✓ Twins do not extend beyond a grain boundary.

12/29/2023 2:42 AM Dr. Mahamuda Shaik 96


▪ Formed by fault in the staking sequence of atomic planes
in crystals
▪ In FCC crystal we have three different stacking layers
ABC while in HCP stacking we have only two different
layers BC hence when FCC crystal grows we have the
stacking as ………ABCABCABCABC……
▪ While growing if the plane A indicated by arrow above
missing then we get the sequence
………ABCABCBCABC……
▪ Thus we find that the stacking in the missing region be
comes HCP. This thin region is a surface imperfection and
is called a stocking fault.
12/29/2023 2:42 AM Dr. Mahamuda Shaik 97
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 98
Applications
• It is known that most materials are polycrystalline and contain
grain boundaries and that grain boundaries can act as sinks and
transport pathways for point defects.

• They are also important to many of the mechanisms of creep

• In metal oxides it has been shown theoretically that at the grain


boundaries in Al2O3 and MgO the insulating properties can be
significantly diminished.

• They can affect the electronic properties with a reduction in


the band gap
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 99
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 100
Volume Defects
❑ Presence of a large vacancy (crakes) or void such as
clusters of atoms missing is also considered as a volume
defect. While crystal is grown there is every possibility
of inclusion of non-crystalline regions of dimensions of at
least 10 to 30°A. This is also called Volume
imperfection.

❑ Affect mechanical, electrical and optical properties.


12/29/2023 2:42 AM Dr. Mahamuda Shaik 101
12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 102
Pores in ceramics

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 103


Identify the Defects

12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 104


12/29/2023 2:42 AM Dr. Mahamuda Shaik Confidential 105

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