Bunge Notation

1
Texture Components and Euler

Angles: part 2
13
th
January 05
27-750
Spring 2005
A. D. (Tony) Rollett
Carnegie
Mellon
MRSEC
2
Lecture Objectives
Show how to convert from a description of a crystal
orientation based on Miller indices to matrices to
Euler angles
Give examples of standard named components and
their associated Euler angles
The overall aim is to be able to describe a texture
component by a single point (in some set of
coordinates such as Euler angles) instead of needing
to draw the crystal embedded in a reference frame
Part 2 provides mathematical detail
Obj/notation AxisTransformation Matrix EulerAngles Components
3
(Bunge)
Euler Angle
Definition
4
Euler Angles, Ship Analogy
Analogy: position and
the heading of a boat
with respect to the globe.
Co-latitude (O) and
longitude () describe
the position of the boat;
third angle describes the
heading
(|) of the boat relative to
the line of longitude that
connects the boat to the
North Pole.
Kocks vs. Bunge angles:
to be explained later!
5
Meaning of Euler angles
The first two angles, |
1
and u, tell you the position of
the [001] crystal direction relative to the specimen
axes.
Think of rotating the crystal about the ND (1st angle,
|
1
); then rotate the crystal out of the plane (about the
[100] axis, u);
Finally, the 3
rd
angle (|
2
)
tells
you how much to rotate
the crystal about [001].
6
Euler Angles, Animated
[010]
[100]
[001]
Crystal
e
1
=X
sample
=RD
e
2
=Y
sample
=TD
e
3
=Z
sample
=ND
Sample Axes
RD
TD
e
2
e
3
=e
1
2
nd
position
y
crystal
=e
2

|
2

x
crystal
=e
1

z
crystal
=e
3

=
3
rd
position (final)
e
1
e
2
|
1

e
3
=

1
st
position
u
7
Brass component, contd.
(100) (111) (110)
(110)[1 12]
The associated (110) pole figure is very similar to
the Goss texture pole figure except that it is
rotated about the ND. In this example, the
crystal has been rotated in only one sense
(anticlockwise).
8
Brass component: Euler angles
The brass component is convenient
because we can think about performing
two successive rotations:
1st about the ND, 2nd about the new
position of the [100] axis.
1st rotation is 35 about the ND; 2nd
rotation is 45 about the [100].
(|
1
,u,|
2
) = (35,45,0).
9
Table 4.F.2. fcc Rolli ng Texture Components: Euler Angles and Indices
Name Indices Bunge
(
1
,u,
2
)
RD= 1
Kocks
(,O,|)
RD= 1
Bunge
(
1
,u,
2
)
RD= 2
Kocks
(,O,|)
RD= 2
copper/
1
st
var.
{112}(111
) 40, 65, 26 50, 65, 26 50, 65, 64 39, 66, 63

copper/
2
nd
var.
{112}(111
) 90, 35, 45 0, 35, 45 0, 35, 45 90, 35, 45

S3* {123}(634
) 59, 37, 27 31, 37, 27 31, 37, 63 59, 37, 63

S/ 1st var. (312)<02 1> 32, 58, 18 58, 58, 18 26, 37, 27 64, 37, 27
S/ 2nd var. (312)<02 1> 48, 75, 34 42, 75,34 42, 75, 56 48, 75, 56
S/ 3rd var. (312)<02 1> 64, 37, 63 26, 37, 63 58, 58, 72 32, 58, 72
brass/
1
st
var.
{110}(1
12) 35, 45, 0 55, 45, 0 55, 45, 0 35, 45, 0

brass/
2
nd
var.
{110}(1
12) 55, 90, 45 35, 90, 45 35, 90, 45 55, 90, 45

brass/
3
rd
var.
{110}(1
12) 35, 45, 90 55, 45, 90 55, 45, 90 35, 45, 90

Taylor {4 4 11}(11 11 8
) 42, 71, 20 48, 71, 20 48, 71, 70 42, 71, 70

Taylor/
2nd var.
{4 4 11}(11 11 8
) 90, 27, 45 0, 27, 45 0, 27, 45 90, 27, 45

Goss/
1
st
var.
{110}(001) 0, 45, 0 90, 45, 0 90, 45, 0 0, 45, 0
Goss/
2
nd
var.
{110}(001) 90, 90, 45 0, 90, 45 0, 90, 45 90, 90, 45
Goss/
3
rd
var.
{110}(001) 0, 45, 90 90, 45, 90 90, 45, 90 0, 45, 90
10
Meaning of Variants
The existence of variants of a given texture component is a
consequence of (statistical) sample symmetry.
If one permutes the Miller indices for a given component (for
cubics, one can change the sign and order, but not the set of
digits), then different values of the Euler angles are found for
each permutation.
If a pole figure is plotted of all the variants, one observes a
number of physically distinct orientations, which are related to
each other by symmetry operators (diads, typically) fixed in the
sample frame of reference.
Each physically distinct orientation is a variant. The number of
variants listed depends on the choice of size of Euler space
(typically 90x90x90) and the alignment of the component with
respect to the sample symmetry.
11
Notation: vectors, matrices
Vector-Matrix: v is a vector, A is a matrix
Index notation: explicit indexes (Einstein convention):
v
i
is a vector, A
jk
is a matrix (maybe tensor)
Scalar (dot) product: c = ab = a
i
b
i
; zero dot product
means vectors are perpendicular. For two unit
vectors, the dot product is equal to the cosine of the
angle between them.
Vector (cross) product: c = c
i
= a x b = a . b = c
ijk

a
j
b
k
; generates a vector that is perpendicular to the
first two.

12
Miller indices to vectors
45
Axes
Sample Direction 1 = RD = e
1
Sample Direction 2
= TD = e
2
^
^
Sample Direction 3 = ND = e
3
^ o
2
o
1
Direction Cosine 1 = cos(o
1
)
[u v 0]
Origin = (0,0,0)
Need the direction
cosines for all 3 crystal
axes.
A direction cosine is the
cosine of the angle
between a vector and a
given direction or axis.
Sets of direction cosines
can be used to construct
a transformation matrix
from the vectors.
13
Rotation of axes in the plane:
x, y = old axes; x,y = new axes
x
y
u
x
y
v
' v =
cosu sinu
sinu cosu
|
\

|
.
|
v
N.B. Passive Rotation/ Transformation of Axes
14
Definition of an Axis Transformation:
e = old axes; e = new axes
a
ij
=

' e
i
-

e
j
e
1

^
e
1

^
e
2

^
e
2

^
e
3

^
e
3

^
Sample to Crystal (primed)
=
a
11
a
12
a
13
a
21
a
22
a
23
a
31
a
32
a
33
|
\

|
.
|
|
15
Geometry of {hkl}<uvw>
e
1
|| [uvw]
^
e
1

^
e
2
|| t
^
e
2

^
e
3
|| (hkl)
^
e
3

^
^
[001]
[010]
[100]
Miller index
notation of
texture component
specifies direction
cosines of xtal
directions || to
sample axes.
Sample to Crystal (primed)
t = hkl x uvw
16
Form matrix from Miller Indices

b
(u, v, w)
u
2
v
2
w
2

n =
(h, k,l)
h
2
+ k
2
+ l
2

t =

n

b

n

b a
ij
= Crystal
Sample
b
1
t
1
n
1
b
2
t
2
n
2
b
3
t
3
n
3
17
Bunge Euler angles to Matrix
Rotation 1 (|
1
): rotate axes (anticlockwise)
about the (sample) 3 [ND] axis; Z
1
.

Rotation 2 (u): rotate axes (anticlockwise)
about the (rotated) 1 axis [100] axis; X.

Rotation 3 (|
2
): rotate axes (anticlockwise)
about the (crystal) 3 [001] axis; Z
2
.
18
Bunge Euler angles to Matrix,
contd.
Z
1
=
cos|
1
sin|
1
0
sin|
1
cos|
1
0
0 0 1
|
\

|
.
|
|
, X =
1 0 0
0 cosu sin u
0 sinu cosu
|
\

|
.
|
|
,
Z
2
=
cos|
2
sin|
2
0
sin|
2
cos|
2
0
0 0 1
|
\

|
.
|
|
A=Z
2
XZ
1
19
Matrix with Bunge Angles
cos
1
cos
2
sin
1
sin
2
cosu
sin
1
cos
2
+cos
1
sin
2
cosu
sin
2
sin u
cos
1
sin
2
sin
1
cos
2
cosu
sin
1
sin
2
+cos
1
cos
2
cosu
cos
2
sin u
sin
1
sinu cos
1
sinu cosu
|
\

|
.
|
|
|
|
|
|
|
|
A = Z
2
XZ
1
=

(hkl)
[uvw]
20
Matrix, Miller Indices
The general Rotation Matrix, a, can be represented
as in the following:

Where the Rows are the direction cosines for [100],
[010], and [001] in the sample coordinate system
(pole figure).
[100] direction
[010] direction
[001] direction

a
11
a
12
a
13
a
21
a
22
a
23
a
31
a
32
a
33

(

(
(
(
21
Matrix, Miller Indices
The columns represent components of three other unit vectors:
[uvw]RD
TD ND(hkl)

a
11
a
12
a
13
a
21
a
22
a
23
a
31
a
32
a
33

(

(
(
(
Where the Columns are the direction cosines (i.e. hkl or uvw) for
the RD, TD and Normal directions in the crystal coordinate system.
22
Compare Matrices
a
ij
= Crystal
Sample
b
1
t
1
n
1
b
2
t
2
n
2
b
3
t
3
n
3
|
\

|
.
|
|
cos
1
cos
2
sin
1
sin
2
cosu
sin
1
cos
2
+cos
1
sin
2
cosu
sin
2
sin u
cos
1
sin
2
sin
1
cos
2
cosu
sin
1
sin
2
+cos
1
cos
2
cosu
cos
2
sin u
sin
1
sinu cos
1
sinu cosu
|
\

|
.
|
|
|
|
|
|
|
|
[uvw]
[uvw] (hkl)
(hkl)
23
Miller indices from Euler angle matrix
Compare
the indices
matrix with
the Euler
angle
matrix.
h = nsin usin
2
k = nsin ucos
2
l = ncosu
u = ' n cos
1
cos
2
sin
1
sin
2
cosu
( )
v = ' n cos
1
sin
2
sin
1
cos
2
cosu
( )
w = ' n sinusin
1
n, n = factors to make integers
24
Euler angles from Miller indices
Inversion of
the previous
relations:
cosu =
l
h
2
+ k
2
+ l
2
cos
2
=
k
h
2
+ k
2
sin
1
=
w
u
2
+ v
2
+ w
2
h
2
+ k
2
+ l
2
h
2
+ k
2
Caution: when one uses the inverse trig functions, the range of result is limited to
0cos
-1
u180, or -90sin
-1
u90. Thus it is not possible to access the full 0-360
range of the angles. It is more reliable to go from Miller indices to an orientation
matrix, and then calculate the Euler angles. Extra credit: show that the following
surmise is correct. If a plane, hkl, is chosen in the lower hemisphere, l<0, show that
the Euler angles are incorrect.
25
Euler angles from
Orientation Matrix

u= cos
1
a
33
( )
2
= tan
1
a
13
sinu
( )
a
23
sinu
( )
|
\

|
.
|
1
= tan
1
a
31
sinu
( )
a
32
sinu
( )
|
\

|
.
|
Notes:
The range of inverse
cosine (ACOS) is 0-
, which is sufficient
for u;
from this, sin(u) can
be obtained;
The range of inverse
tangent is 0-2,
(must use the
ATAN2 function)
which is required for
calculating |
1
and |
2
.

if a
33
~1, u= 0,
1
=
tan
1 a
12
a
11
|
\

|
.
|
2
, and
2
=
1
Corrected -a
32
in formula for |
1
18
th
Feb. 05
26
Summary
Conversion between different forms of
description of texture components
described.
Physical picture of the meaning of Euler
angles as rotations of a crystal given.
Miller indices are descriptive, but
matrices are useful for computation, and
Euler angles are useful for mapping out
textures (to be discussed).
27
Supplementary Slides
The following slides provide
supplementary information.
28
Complete orientations in the Pole
Figure
|
1

|
1

u
u
|
2
|
2
Note the loss of
information
in a diffraction
experiment if each
set of poles from a
single component
cannot be related
to one another.
(|
1
,u,|
2
) ~
(30,70,40).
29
Complete
orientations in
the Inverse Pole
Figure
Think of yourself as an
observer standing on
the crystal axes, and
measuring where the
sample axes lie in
relation to the crystal
axes.
30
Other Euler angle definitions
A confusing aspect of texture analysis is that there
are multiple definitions of the Euler angles.
Definitions according to Bunge, Roe and Kocks are in
common use.
Components have different values of Euler angles
depending on which definition is used.
The Bunge definition is the most common.
The differences between the definitions are based on
differences in the sense of rotation, and the choice of
rotation axis for the second angle.
31
Matrix with Kocks Angles
sin +sin|
cos+cos|cosO
cos+sin|
sin+cos|cosO
cos|sin O
sin+cos|
cos+sin| cosO
cos+cos|
sin+sin|cosO
sin|sin O
cos+sinO sin +sin O
cosO
|
\

|
.
|
|
|
|
|
|
|
|
a(+,O,|) =
(hkl)
[uvw]
Note: obtain transpose by exchanging | and +.
32
Matrix with Roe angles
sin sin|
+cos cos| cosu
cos sin|
+sin cos|cosu
cos|sinu
sin cos|
cos sin| cosu
cos cos|
sin sin|cosu
sin|sinu
cos sinu sin sinu cosu
|
\

|
.
|
|
|
|
|
|
|
|
a(,u,|) =
(hkl)
[uvw]
33
Euler Angle Definitions
Bunge and Canova are inverse to one another
Kocks and Roe differ by sign of third angle
Bunge rotates about x, Kocks about y (2nd angle)
Kocks
34
Conversions
Conv ention 1
st
2
nd
3
rd
2
nd
angle
about axis:
Kocks
(symmetric)
+ O |
y
Bung e
|
1
-t/2 u t/2|
2
x
Matthies
o | t
y
Roe
+ O tu
y

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1

Texture Components and Euler

) 40, 65, 26 50, 65, 26 50, 65, 64 39, 66, 63

) 90, 35, 45 0, 35, 45 0, 35, 45 90, 35, 45

) 59, 37, 27 31, 37, 27 31, 37, 63 59, 37, 63

12) 35, 45, 0 55, 45, 0 55, 45, 0 35, 45, 0

12) 55, 90, 45 35, 90, 45 35, 90, 45 55, 90, 45

12) 35, 45, 90 55, 45, 90 55, 45, 90 35, 45, 90

) 42, 71, 20 48, 71, 20 48, 71, 70 42, 71, 70

) 90, 27, 45 0, 27, 45 0, 27, 45 90, 27, 45

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